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Enter Data
| Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Receptor activity-modifying protein 1 (PIG) | BDBM85836 ([N-benzol]h alpha-CGRP8-37) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NCc1ccc(O)cc1)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |wU:173.178,63.66,172.175,147.148,131.132,122.123,204.207,108.109,69.70,17.21,25.32,83.84,218.221,50.51,wD:158.160,179.182,187.190,139.140,198.201,115.116,4.4,77.78,36.43,94.95,46.47,168.172,213.217,12.12,(77.08,2.16,;77.08,.62,;75.75,-.15,;78.41,-.15,;78.41,-1.69,;79.75,-2.46,;81.08,-1.69,;81.08,-.15,;82.42,-2.46,;83.75,-1.69,;85.08,-2.46,;85.08,-4,;86.42,-1.69,;86.42,-.15,;87.75,-2.46,;89.08,-1.69,;89.08,-.15,;90.42,-2.46,;90.42,-4,;91.75,-4.77,;91.75,-6.31,;93.08,-4,;91.75,-1.69,;91.75,-.15,;90.42,.62,;93.08,.62,;94.42,-.15,;94.42,-1.69,;95.75,-2.46,;95.75,-4,;97.09,-4.77,;97.09,-6.31,;98.42,-4,;93.08,2.16,;94.42,2.93,;95.75,2.16,;94.42,4.47,;93.08,5.24,;93.08,6.79,;91.84,7.69,;92.31,9.15,;93.85,9.15,;94.33,7.69,;95.75,5.24,;97.09,4.47,;97.09,2.93,;98.42,5.24,;99.75,4.47,;101.09,5.24,;101.09,6.79,;102.42,4.47,;103.75,5.24,;103.75,6.78,;105.09,7.55,;105.09,9.1,;106.42,9.87,;107.76,9.1,;109.09,9.87,;107.76,7.55,;106.42,6.78,;102.42,2.93,;103.75,2.16,;101.09,2.16,;98.42,6.79,;97.09,7.56,;99.75,7.56,;77.08,-2.46,;75.75,-1.69,;77.08,-4,;75.75,-4.77,;75.75,-6.31,;77.08,-7.08,;77.08,-8.62,;78.41,-6.31,;74.41,-4,;74.41,-2.46,;73.08,-4.77,;71.75,-4,;71.75,-2.46,;73.08,-1.69,;70.41,-4.77,;70.41,-6.31,;69.08,-4,;67.74,-4.77,;67.74,-6.31,;69.08,-7.08,;69.08,-8.62,;70.41,-9.39,;70.41,-10.93,;71.75,-11.7,;69.08,-11.7,;66.41,-4,;66.41,-2.46,;65.08,-4.77,;63.74,-4,;63.74,-2.46,;65.08,-1.69,;62.41,-4.77,;62.41,-6.31,;61.08,-4,;59.74,-4.77,;58.41,-4,;58.41,-2.46,;57.07,-4.77,;55.74,-4,;54.41,-4.77,;54.41,-6.31,;53.07,-4,;51.74,-4.77,;51.74,-6.31,;53.07,-7.08,;50.41,-7.08,;50.41,-4,;50.41,-2.46,;49.07,-4.77,;47.74,-4,;47.74,-2.46,;49.07,-1.69,;46.41,-1.69,;46.41,-4.77,;46.41,-6.31,;45.07,-4,;43.74,-4.77,;43.74,-6.31,;45.07,-7.08,;45.07,-8.62,;46.41,-9.39,;46.41,-10.93,;42.4,-4,;42.4,-2.46,;41.07,-4.77,;39.74,-4,;38.4,-4.77,;38.4,-6.31,;37.07,-7.08,;39.74,-7.08,;39.74,-2.46,;41.07,-1.69,;38.4,-1.69,;38.4,-.15,;39.74,.62,;39.74,2.16,;41.07,2.93,;38.4,2.93,;37.07,.62,;37.07,2.16,;35.74,-.15,;34.4,.62,;33.07,-.15,;33.07,-1.69,;31.73,-2.46,;31.73,-4,;33.07,-4.77,;34.4,-4,;34.4,-2.46,;34.4,2.16,;35.74,2.93,;33.07,2.93,;33.07,4.47,;34.4,5.24,;34.4,6.79,;35.74,4.47,;31.73,5.24,;30.4,4.47,;31.73,6.79,;32.98,7.69,;32.5,9.15,;30.96,9.15,;30.49,7.69,;29.02,7.21,;28.7,5.71,;27.88,8.24,;26.41,7.77,;26.09,6.26,;27.24,5.23,;24.63,5.79,;25.27,8.8,;25.59,10.31,;23.81,8.32,;22.66,9.35,;22.98,10.86,;21.84,11.89,;22.16,13.4,;20.37,11.42,;21.2,8.88,;20.05,9.91,;20.88,7.37,;19.41,6.9,;18.27,7.93,;16.8,7.45,;18.59,9.43,;19.09,5.39,;20.24,4.36,;17.63,4.91,;17.31,3.41,;15.84,2.93,;14.7,3.96,;15.52,1.42,;14.06,.95,;12.91,1.98,;11.45,1.5,;13.74,-.56,;14.88,-1.59,;12.27,-1.03,;11.95,-2.54,;13.1,-3.57,;12.78,-5.08,;13.92,-6.11,;13.6,-7.61,;14.74,-8.64,;10.49,-3.02,;9.34,-1.99,;10.17,-4.52,;8.7,-5,;7.56,-3.97,;8.38,-6.5,;9.53,-7.53,;6.92,-6.98,;6.6,-8.49,;7.74,-9.52,;7.42,-11.02,;5.96,-11.5,;5.64,-13.01,;6.78,-14.04,;8.25,-13.56,;8.57,-12.05,;5.13,-8.96,;3.99,-7.93,;4.81,-10.47,)| Show InChI InChI=1S/C146H236N44O39/c1-71(2)52-93(168-109(201)65-162-120(205)79(17)166-127(212)94(53-72(3)4)175-125(210)90(40-31-49-158-145(153)154)170-130(215)97(57-86-62-157-70-165-86)180-143(228)118(82(20)195)189-139(224)112(74(7)8)161-61-85-43-45-87(196)46-44-85)128(213)176-95(54-73(5)6)129(214)183-103(69-193)136(221)172-91(41-32-50-159-146(155)156)126(211)182-101(67-191)122(207)163-63-108(200)160-64-111(203)184-114(76(11)12)141(226)186-115(77(13)14)140(225)173-89(39-28-30-48-148)124(209)178-98(58-105(149)197)132(217)179-99(59-106(150)198)131(216)177-96(56-84-36-25-22-26-37-84)133(218)187-116(78(15)16)144(229)190-51-33-42-104(190)137(222)188-117(81(19)194)142(227)181-100(60-107(151)199)134(219)185-113(75(9)10)138(223)164-66-110(202)169-102(68-192)135(220)171-88(38-27-29-47-147)123(208)167-80(18)121(206)174-92(119(152)204)55-83-34-23-21-24-35-83/h21-26,34-37,43-46,62,70-82,88-104,112-118,161,191-196H,27-33,38-42,47-61,63-69,147-148H2,1-20H3,(H2,149,197)(H2,150,198)(H2,151,199)(H2,152,204)(H,157,165)(H,160,200)(H,162,205)(H,163,207)(H,164,223)(H,166,212)(H,167,208)(H,168,201)(H,169,202)(H,170,215)(H,171,220)(H,172,221)(H,173,225)(H,174,206)(H,175,210)(H,176,213)(H,177,216)(H,178,209)(H,179,217)(H,180,228)(H,181,227)(H,182,211)(H,183,214)(H,184,203)(H,185,219)(H,186,226)(H,187,218)(H,188,222)(H,189,224)(H4,153,154,158)(H4,155,156,159)/t79-,80-,81+,82+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,112-,113-,114-,115-,116-,117-,118-/m0/s1 | KEGG UniProtKB/SwissProt GoogleScholar AffyNet  | PC cid PC sid UniChem Similars | PubMed | 0.0720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Creighton University Curated by PDSP Ki Database | J Pharmacol Exp Ther 299: 1086-94 (2001) BindingDB Entry DOI: 10.7270/Q29C6W07 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Receptor activity-modifying protein 1 (PIG) | BDBM85837 (h alpha-CGRP) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6](-[#6])-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-1-[#6]-[#7]-[#6]-[#7]-1)-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#16])-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6])-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6](-[#6]-[#16])-[#7]-[#6](=O)-[#6](-[#6])-[#7])-[#6](-[#6])-[#8])-[#6](-[#6])-[#8])-[#6](-[#6])-[#6])-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6](-[#6])-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](-[#7])=O Show InChI InChI=1S/C163H273N51O49S2/c1-73(2)52-97(186-116(226)65-179-131(233)82(18)183-139(241)98(53-74(3)4)193-137(239)94(44-35-49-176-162(171)172)188-142(244)101(57-91-62-175-72-182-91)199-159(261)128(88(24)221)213-156(258)123(79(13)14)207-151(253)110(71-265)204-160(262)126(86(22)219)210-133(235)84(20)185-157(259)125(85(21)218)211-147(249)105(61-119(229)230)198-150(252)109(70-264)203-130(232)81(17)166)140(242)194-99(54-75(5)6)141(243)202-108(69-217)149(251)190-95(45-36-50-177-163(173)174)138(240)201-106(67-215)134(236)180-63-115(225)178-64-118(228)205-121(77(9)10)155(257)208-122(78(11)12)154(256)191-93(43-32-34-48-165)136(238)196-102(58-112(167)222)144(246)197-103(59-113(168)223)143(245)195-100(56-90-40-29-26-30-41-90)145(247)209-124(80(15)16)161(263)214-51-37-46-111(214)152(254)212-127(87(23)220)158(260)200-104(60-114(169)224)146(248)206-120(76(7)8)153(255)181-66-117(227)187-107(68-216)148(250)189-92(42-31-33-47-164)135(237)184-83(19)132(234)192-96(129(170)231)55-89-38-27-25-28-39-89/h25-30,38-41,73-88,91-111,120-128,175,182,215-221,264-265H,31-37,42-72,164-166H2,1-24H3,(H2,167,222)(H2,168,223)(H2,169,224)(H2,170,231)(H,178,225)(H,179,233)(H,180,236)(H,181,255)(H,183,241)(H,184,237)(H,185,259)(H,186,226)(H,187,227)(H,188,244)(H,189,250)(H,190,251)(H,191,256)(H,192,234)(H,193,239)(H,194,242)(H,195,245)(H,196,238)(H,197,246)(H,198,252)(H,199,261)(H,200,260)(H,201,240)(H,202,243)(H,203,232)(H,204,262)(H,205,228)(H,206,248)(H,207,253)(H,208,257)(H,209,247)(H,210,235)(H,211,249)(H,212,254)(H,213,258)(H,229,230)(H4,171,172,176)(H4,173,174,177) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Creighton University Curated by PDSP Ki Database | J Pharmacol Exp Ther 299: 1086-94 (2001) BindingDB Entry DOI: 10.7270/Q29C6W07 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Calcitonin gene-related peptide type 1 receptor (PIG) | BDBM85837 (h alpha-CGRP) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6](-[#6])-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-1-[#6]-[#7]-[#6]-[#7]-1)-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#16])-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6])-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6](-[#6]-[#16])-[#7]-[#6](=O)-[#6](-[#6])-[#7])-[#6](-[#6])-[#8])-[#6](-[#6])-[#8])-[#6](-[#6])-[#6])-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6](-[#6])-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](-[#7])=O Show InChI InChI=1S/C163H273N51O49S2/c1-73(2)52-97(186-116(226)65-179-131(233)82(18)183-139(241)98(53-74(3)4)193-137(239)94(44-35-49-176-162(171)172)188-142(244)101(57-91-62-175-72-182-91)199-159(261)128(88(24)221)213-156(258)123(79(13)14)207-151(253)110(71-265)204-160(262)126(86(22)219)210-133(235)84(20)185-157(259)125(85(21)218)211-147(249)105(61-119(229)230)198-150(252)109(70-264)203-130(232)81(17)166)140(242)194-99(54-75(5)6)141(243)202-108(69-217)149(251)190-95(45-36-50-177-163(173)174)138(240)201-106(67-215)134(236)180-63-115(225)178-64-118(228)205-121(77(9)10)155(257)208-122(78(11)12)154(256)191-93(43-32-34-48-165)136(238)196-102(58-112(167)222)144(246)197-103(59-113(168)223)143(245)195-100(56-90-40-29-26-30-41-90)145(247)209-124(80(15)16)161(263)214-51-37-46-111(214)152(254)212-127(87(23)220)158(260)200-104(60-114(169)224)146(248)206-120(76(7)8)153(255)181-66-117(227)187-107(68-216)148(250)189-92(42-31-33-47-164)135(237)184-83(19)132(234)192-96(129(170)231)55-89-38-27-25-28-39-89/h25-30,38-41,73-88,91-111,120-128,175,182,215-221,264-265H,31-37,42-72,164-166H2,1-24H3,(H2,167,222)(H2,168,223)(H2,169,224)(H2,170,231)(H,178,225)(H,179,233)(H,180,236)(H,181,255)(H,183,241)(H,184,237)(H,185,259)(H,186,226)(H,187,227)(H,188,244)(H,189,250)(H,190,251)(H,191,256)(H,192,234)(H,193,239)(H,194,242)(H,195,245)(H,196,238)(H,197,246)(H,198,252)(H,199,261)(H,200,260)(H,201,240)(H,202,243)(H,203,232)(H,204,262)(H,205,228)(H,206,248)(H,207,253)(H,208,257)(H,209,247)(H,210,235)(H,211,249)(H,212,254)(H,213,258)(H,229,230)(H4,171,172,176)(H4,173,174,177) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Creighton University Curated by PDSP Ki Database | J Pharmacol Exp Ther 299: 1086-94 (2001) BindingDB Entry DOI: 10.7270/Q29C6W07 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Calcitonin gene-related peptide type 1 receptor (PIG) | BDBM85836 ([N-benzol]h alpha-CGRP8-37) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NCc1ccc(O)cc1)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |wU:173.178,63.66,172.175,147.148,131.132,122.123,204.207,108.109,69.70,17.21,25.32,83.84,218.221,50.51,wD:158.160,179.182,187.190,139.140,198.201,115.116,4.4,77.78,36.43,94.95,46.47,168.172,213.217,12.12,(77.08,2.16,;77.08,.62,;75.75,-.15,;78.41,-.15,;78.41,-1.69,;79.75,-2.46,;81.08,-1.69,;81.08,-.15,;82.42,-2.46,;83.75,-1.69,;85.08,-2.46,;85.08,-4,;86.42,-1.69,;86.42,-.15,;87.75,-2.46,;89.08,-1.69,;89.08,-.15,;90.42,-2.46,;90.42,-4,;91.75,-4.77,;91.75,-6.31,;93.08,-4,;91.75,-1.69,;91.75,-.15,;90.42,.62,;93.08,.62,;94.42,-.15,;94.42,-1.69,;95.75,-2.46,;95.75,-4,;97.09,-4.77,;97.09,-6.31,;98.42,-4,;93.08,2.16,;94.42,2.93,;95.75,2.16,;94.42,4.47,;93.08,5.24,;93.08,6.79,;91.84,7.69,;92.31,9.15,;93.85,9.15,;94.33,7.69,;95.75,5.24,;97.09,4.47,;97.09,2.93,;98.42,5.24,;99.75,4.47,;101.09,5.24,;101.09,6.79,;102.42,4.47,;103.75,5.24,;103.75,6.78,;105.09,7.55,;105.09,9.1,;106.42,9.87,;107.76,9.1,;109.09,9.87,;107.76,7.55,;106.42,6.78,;102.42,2.93,;103.75,2.16,;101.09,2.16,;98.42,6.79,;97.09,7.56,;99.75,7.56,;77.08,-2.46,;75.75,-1.69,;77.08,-4,;75.75,-4.77,;75.75,-6.31,;77.08,-7.08,;77.08,-8.62,;78.41,-6.31,;74.41,-4,;74.41,-2.46,;73.08,-4.77,;71.75,-4,;71.75,-2.46,;73.08,-1.69,;70.41,-4.77,;70.41,-6.31,;69.08,-4,;67.74,-4.77,;67.74,-6.31,;69.08,-7.08,;69.08,-8.62,;70.41,-9.39,;70.41,-10.93,;71.75,-11.7,;69.08,-11.7,;66.41,-4,;66.41,-2.46,;65.08,-4.77,;63.74,-4,;63.74,-2.46,;65.08,-1.69,;62.41,-4.77,;62.41,-6.31,;61.08,-4,;59.74,-4.77,;58.41,-4,;58.41,-2.46,;57.07,-4.77,;55.74,-4,;54.41,-4.77,;54.41,-6.31,;53.07,-4,;51.74,-4.77,;51.74,-6.31,;53.07,-7.08,;50.41,-7.08,;50.41,-4,;50.41,-2.46,;49.07,-4.77,;47.74,-4,;47.74,-2.46,;49.07,-1.69,;46.41,-1.69,;46.41,-4.77,;46.41,-6.31,;45.07,-4,;43.74,-4.77,;43.74,-6.31,;45.07,-7.08,;45.07,-8.62,;46.41,-9.39,;46.41,-10.93,;42.4,-4,;42.4,-2.46,;41.07,-4.77,;39.74,-4,;38.4,-4.77,;38.4,-6.31,;37.07,-7.08,;39.74,-7.08,;39.74,-2.46,;41.07,-1.69,;38.4,-1.69,;38.4,-.15,;39.74,.62,;39.74,2.16,;41.07,2.93,;38.4,2.93,;37.07,.62,;37.07,2.16,;35.74,-.15,;34.4,.62,;33.07,-.15,;33.07,-1.69,;31.73,-2.46,;31.73,-4,;33.07,-4.77,;34.4,-4,;34.4,-2.46,;34.4,2.16,;35.74,2.93,;33.07,2.93,;33.07,4.47,;34.4,5.24,;34.4,6.79,;35.74,4.47,;31.73,5.24,;30.4,4.47,;31.73,6.79,;32.98,7.69,;32.5,9.15,;30.96,9.15,;30.49,7.69,;29.02,7.21,;28.7,5.71,;27.88,8.24,;26.41,7.77,;26.09,6.26,;27.24,5.23,;24.63,5.79,;25.27,8.8,;25.59,10.31,;23.81,8.32,;22.66,9.35,;22.98,10.86,;21.84,11.89,;22.16,13.4,;20.37,11.42,;21.2,8.88,;20.05,9.91,;20.88,7.37,;19.41,6.9,;18.27,7.93,;16.8,7.45,;18.59,9.43,;19.09,5.39,;20.24,4.36,;17.63,4.91,;17.31,3.41,;15.84,2.93,;14.7,3.96,;15.52,1.42,;14.06,.95,;12.91,1.98,;11.45,1.5,;13.74,-.56,;14.88,-1.59,;12.27,-1.03,;11.95,-2.54,;13.1,-3.57,;12.78,-5.08,;13.92,-6.11,;13.6,-7.61,;14.74,-8.64,;10.49,-3.02,;9.34,-1.99,;10.17,-4.52,;8.7,-5,;7.56,-3.97,;8.38,-6.5,;9.53,-7.53,;6.92,-6.98,;6.6,-8.49,;7.74,-9.52,;7.42,-11.02,;5.96,-11.5,;5.64,-13.01,;6.78,-14.04,;8.25,-13.56,;8.57,-12.05,;5.13,-8.96,;3.99,-7.93,;4.81,-10.47,)| Show InChI InChI=1S/C146H236N44O39/c1-71(2)52-93(168-109(201)65-162-120(205)79(17)166-127(212)94(53-72(3)4)175-125(210)90(40-31-49-158-145(153)154)170-130(215)97(57-86-62-157-70-165-86)180-143(228)118(82(20)195)189-139(224)112(74(7)8)161-61-85-43-45-87(196)46-44-85)128(213)176-95(54-73(5)6)129(214)183-103(69-193)136(221)172-91(41-32-50-159-146(155)156)126(211)182-101(67-191)122(207)163-63-108(200)160-64-111(203)184-114(76(11)12)141(226)186-115(77(13)14)140(225)173-89(39-28-30-48-148)124(209)178-98(58-105(149)197)132(217)179-99(59-106(150)198)131(216)177-96(56-84-36-25-22-26-37-84)133(218)187-116(78(15)16)144(229)190-51-33-42-104(190)137(222)188-117(81(19)194)142(227)181-100(60-107(151)199)134(219)185-113(75(9)10)138(223)164-66-110(202)169-102(68-192)135(220)171-88(38-27-29-47-147)123(208)167-80(18)121(206)174-92(119(152)204)55-83-34-23-21-24-35-83/h21-26,34-37,43-46,62,70-82,88-104,112-118,161,191-196H,27-33,38-42,47-61,63-69,147-148H2,1-20H3,(H2,149,197)(H2,150,198)(H2,151,199)(H2,152,204)(H,157,165)(H,160,200)(H,162,205)(H,163,207)(H,164,223)(H,166,212)(H,167,208)(H,168,201)(H,169,202)(H,170,215)(H,171,220)(H,172,221)(H,173,225)(H,174,206)(H,175,210)(H,176,213)(H,177,216)(H,178,209)(H,179,217)(H,180,228)(H,181,227)(H,182,211)(H,183,214)(H,184,203)(H,185,219)(H,186,226)(H,187,218)(H,188,222)(H,189,224)(H4,153,154,158)(H4,155,156,159)/t79-,80-,81+,82+,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,112-,113-,114-,115-,116-,117-,118-/m0/s1 | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Creighton University Curated by PDSP Ki Database | J Pharmacol Exp Ther 299: 1086-94 (2001) BindingDB Entry DOI: 10.7270/Q29C6W07 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Receptor activity-modifying protein 1 (PIG) | BDBM85840 ([N-acetyl]h alpha-CGRP8-37) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |wU:168.172,58.60,167.169,142.142,126.126,117.117,199.201,103.103,64.64,17.21,25.32,78.78,213.215,50.51,wD:153.154,174.176,182.184,134.134,193.195,110.110,4.4,72.72,36.43,89.89,46.47,163.166,208.211,12.12,(77.08,2.16,;77.08,.62,;75.75,-.15,;78.41,-.15,;78.41,-1.69,;79.75,-2.46,;81.08,-1.69,;81.08,-.15,;82.42,-2.46,;83.75,-1.69,;85.08,-2.46,;85.08,-4,;86.42,-1.69,;86.42,-.15,;87.75,-2.46,;89.08,-1.69,;89.08,-.15,;90.42,-2.46,;90.42,-4,;91.75,-4.77,;91.75,-6.31,;93.08,-4,;91.75,-1.69,;91.75,-.15,;90.42,.62,;93.08,.62,;94.42,-.15,;94.42,-1.69,;95.75,-2.46,;95.75,-4,;97.09,-4.77,;97.09,-6.31,;98.42,-4,;93.08,2.16,;94.42,2.93,;95.75,2.16,;94.42,4.47,;93.08,5.24,;93.08,6.79,;91.84,7.69,;92.31,9.15,;93.85,9.15,;94.33,7.69,;95.75,5.24,;97.09,4.47,;97.09,2.93,;98.42,5.24,;99.75,4.47,;101.09,5.24,;101.09,6.79,;102.42,4.47,;103.75,5.24,;103.75,6.78,;105.09,7.55,;102.42,7.55,;102.42,2.93,;103.75,2.16,;101.09,2.16,;98.42,6.79,;97.09,7.56,;99.75,7.56,;77.08,-2.46,;75.75,-1.69,;77.08,-4,;75.75,-4.77,;75.75,-6.31,;77.08,-7.08,;77.08,-8.62,;78.41,-6.31,;74.41,-4,;74.41,-2.46,;73.08,-4.77,;71.75,-4,;71.75,-2.46,;73.08,-1.69,;70.41,-4.77,;70.41,-6.31,;69.08,-4,;67.74,-4.77,;67.74,-6.31,;69.08,-7.08,;69.08,-8.62,;70.41,-9.39,;70.41,-10.93,;71.75,-11.7,;69.08,-11.7,;66.41,-4,;66.41,-2.46,;65.08,-4.77,;63.74,-4,;63.74,-2.46,;65.08,-1.69,;62.41,-4.77,;62.41,-6.31,;61.08,-4,;59.74,-4.77,;58.41,-4,;58.41,-2.46,;57.07,-4.77,;55.74,-4,;54.41,-4.77,;54.41,-6.31,;53.07,-4,;51.74,-4.77,;51.74,-6.31,;53.07,-7.08,;50.41,-7.08,;50.41,-4,;50.41,-2.46,;49.07,-4.77,;47.74,-4,;47.74,-2.46,;49.07,-1.69,;46.41,-1.69,;46.41,-4.77,;46.41,-6.31,;45.07,-4,;43.74,-4.77,;43.74,-6.31,;45.07,-7.08,;45.07,-8.62,;46.41,-9.39,;46.41,-10.93,;42.4,-4,;42.4,-2.46,;41.07,-4.77,;39.74,-4,;38.4,-4.77,;38.4,-6.31,;37.07,-7.08,;39.74,-7.08,;39.74,-2.46,;41.07,-1.69,;38.4,-1.69,;38.4,-.15,;39.74,.62,;39.74,2.16,;41.07,2.93,;38.4,2.93,;37.07,.62,;37.07,2.16,;35.74,-.15,;34.4,.62,;33.07,-.15,;33.07,-1.69,;31.73,-2.46,;31.73,-4,;33.07,-4.77,;34.4,-4,;34.4,-2.46,;34.4,2.16,;35.74,2.93,;33.07,2.93,;33.07,4.47,;34.4,5.24,;34.4,6.79,;35.74,4.47,;31.73,5.24,;30.4,4.47,;31.73,6.79,;32.98,7.69,;32.5,9.15,;30.96,9.15,;30.49,7.69,;29.02,7.21,;28.7,5.71,;27.88,8.24,;26.41,7.77,;26.09,6.26,;27.24,5.23,;24.63,5.79,;25.27,8.8,;25.59,10.31,;23.81,8.32,;22.66,9.35,;22.98,10.86,;21.84,11.89,;22.16,13.4,;20.37,11.42,;21.2,8.88,;20.05,9.91,;20.88,7.37,;19.41,6.9,;18.27,7.93,;16.8,7.45,;18.59,9.43,;19.09,5.39,;20.24,4.36,;17.63,4.91,;17.31,3.41,;15.84,2.93,;14.7,3.96,;15.52,1.42,;14.06,.95,;12.91,1.98,;11.45,1.5,;13.74,-.56,;14.88,-1.59,;12.27,-1.03,;11.95,-2.54,;13.1,-3.57,;12.78,-5.08,;13.92,-6.11,;13.6,-7.61,;14.74,-8.64,;10.49,-3.02,;9.34,-1.99,;10.17,-4.52,;8.7,-5,;7.56,-3.97,;8.38,-6.5,;9.53,-7.53,;6.92,-6.98,;6.6,-8.49,;7.74,-9.52,;7.42,-11.02,;5.96,-11.5,;5.64,-13.01,;6.78,-14.04,;8.25,-13.56,;8.57,-12.05,;5.13,-8.96,;3.99,-7.93,;4.81,-10.47,)| Show InChI InChI=1S/C141H232N44O39/c1-67(2)49-88(163-104(196)61-156-115(200)75(17)160-122(207)89(50-68(3)4)170-120(205)85(41-32-46-153-140(148)149)165-125(210)92(54-82-58-152-66-159-82)175-138(223)113(78(20)190)184-135(220)108(71(9)10)162-79(21)191)123(208)171-90(51-69(5)6)124(209)178-98(65-188)131(216)167-86(42-33-47-154-141(150)151)121(206)177-96(63-186)117(202)157-59-103(195)155-60-106(198)179-109(72(11)12)136(221)181-110(73(13)14)134(219)168-84(40-29-31-45-143)119(204)173-93(55-100(144)192)127(212)174-94(56-101(145)193)126(211)172-91(53-81-37-26-23-27-38-81)128(213)182-111(74(15)16)139(224)185-48-34-43-99(185)132(217)183-112(77(19)189)137(222)176-95(57-102(146)194)129(214)180-107(70(7)8)133(218)158-62-105(197)164-97(64-187)130(215)166-83(39-28-30-44-142)118(203)161-76(18)116(201)169-87(114(147)199)52-80-35-24-22-25-36-80/h22-27,35-38,58,66-78,83-99,107-113,186-190H,28-34,39-57,59-65,142-143H2,1-21H3,(H2,144,192)(H2,145,193)(H2,146,194)(H2,147,199)(H,152,159)(H,155,195)(H,156,200)(H,157,202)(H,158,218)(H,160,207)(H,161,203)(H,162,191)(H,163,196)(H,164,197)(H,165,210)(H,166,215)(H,167,216)(H,168,219)(H,169,201)(H,170,205)(H,171,208)(H,172,211)(H,173,204)(H,174,212)(H,175,223)(H,176,222)(H,177,206)(H,178,209)(H,179,198)(H,180,214)(H,181,221)(H,182,213)(H,183,217)(H,184,220)(H4,148,149,153)(H4,150,151,154)/t75-,76-,77+,78+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,107-,108-,109-,110-,111-,112-,113-/m0/s1 | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Creighton University Curated by PDSP Ki Database | J Pharmacol Exp Ther 299: 1086-94 (2001) BindingDB Entry DOI: 10.7270/Q29C6W07 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Calcitonin gene-related peptide type 1 receptor (PIG) | BDBM85840 ([N-acetyl]h alpha-CGRP8-37) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](NC(C)=O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |wU:168.172,58.60,167.169,142.142,126.126,117.117,199.201,103.103,64.64,17.21,25.32,78.78,213.215,50.51,wD:153.154,174.176,182.184,134.134,193.195,110.110,4.4,72.72,36.43,89.89,46.47,163.166,208.211,12.12,(77.08,2.16,;77.08,.62,;75.75,-.15,;78.41,-.15,;78.41,-1.69,;79.75,-2.46,;81.08,-1.69,;81.08,-.15,;82.42,-2.46,;83.75,-1.69,;85.08,-2.46,;85.08,-4,;86.42,-1.69,;86.42,-.15,;87.75,-2.46,;89.08,-1.69,;89.08,-.15,;90.42,-2.46,;90.42,-4,;91.75,-4.77,;91.75,-6.31,;93.08,-4,;91.75,-1.69,;91.75,-.15,;90.42,.62,;93.08,.62,;94.42,-.15,;94.42,-1.69,;95.75,-2.46,;95.75,-4,;97.09,-4.77,;97.09,-6.31,;98.42,-4,;93.08,2.16,;94.42,2.93,;95.75,2.16,;94.42,4.47,;93.08,5.24,;93.08,6.79,;91.84,7.69,;92.31,9.15,;93.85,9.15,;94.33,7.69,;95.75,5.24,;97.09,4.47,;97.09,2.93,;98.42,5.24,;99.75,4.47,;101.09,5.24,;101.09,6.79,;102.42,4.47,;103.75,5.24,;103.75,6.78,;105.09,7.55,;102.42,7.55,;102.42,2.93,;103.75,2.16,;101.09,2.16,;98.42,6.79,;97.09,7.56,;99.75,7.56,;77.08,-2.46,;75.75,-1.69,;77.08,-4,;75.75,-4.77,;75.75,-6.31,;77.08,-7.08,;77.08,-8.62,;78.41,-6.31,;74.41,-4,;74.41,-2.46,;73.08,-4.77,;71.75,-4,;71.75,-2.46,;73.08,-1.69,;70.41,-4.77,;70.41,-6.31,;69.08,-4,;67.74,-4.77,;67.74,-6.31,;69.08,-7.08,;69.08,-8.62,;70.41,-9.39,;70.41,-10.93,;71.75,-11.7,;69.08,-11.7,;66.41,-4,;66.41,-2.46,;65.08,-4.77,;63.74,-4,;63.74,-2.46,;65.08,-1.69,;62.41,-4.77,;62.41,-6.31,;61.08,-4,;59.74,-4.77,;58.41,-4,;58.41,-2.46,;57.07,-4.77,;55.74,-4,;54.41,-4.77,;54.41,-6.31,;53.07,-4,;51.74,-4.77,;51.74,-6.31,;53.07,-7.08,;50.41,-7.08,;50.41,-4,;50.41,-2.46,;49.07,-4.77,;47.74,-4,;47.74,-2.46,;49.07,-1.69,;46.41,-1.69,;46.41,-4.77,;46.41,-6.31,;45.07,-4,;43.74,-4.77,;43.74,-6.31,;45.07,-7.08,;45.07,-8.62,;46.41,-9.39,;46.41,-10.93,;42.4,-4,;42.4,-2.46,;41.07,-4.77,;39.74,-4,;38.4,-4.77,;38.4,-6.31,;37.07,-7.08,;39.74,-7.08,;39.74,-2.46,;41.07,-1.69,;38.4,-1.69,;38.4,-.15,;39.74,.62,;39.74,2.16,;41.07,2.93,;38.4,2.93,;37.07,.62,;37.07,2.16,;35.74,-.15,;34.4,.62,;33.07,-.15,;33.07,-1.69,;31.73,-2.46,;31.73,-4,;33.07,-4.77,;34.4,-4,;34.4,-2.46,;34.4,2.16,;35.74,2.93,;33.07,2.93,;33.07,4.47,;34.4,5.24,;34.4,6.79,;35.74,4.47,;31.73,5.24,;30.4,4.47,;31.73,6.79,;32.98,7.69,;32.5,9.15,;30.96,9.15,;30.49,7.69,;29.02,7.21,;28.7,5.71,;27.88,8.24,;26.41,7.77,;26.09,6.26,;27.24,5.23,;24.63,5.79,;25.27,8.8,;25.59,10.31,;23.81,8.32,;22.66,9.35,;22.98,10.86,;21.84,11.89,;22.16,13.4,;20.37,11.42,;21.2,8.88,;20.05,9.91,;20.88,7.37,;19.41,6.9,;18.27,7.93,;16.8,7.45,;18.59,9.43,;19.09,5.39,;20.24,4.36,;17.63,4.91,;17.31,3.41,;15.84,2.93,;14.7,3.96,;15.52,1.42,;14.06,.95,;12.91,1.98,;11.45,1.5,;13.74,-.56,;14.88,-1.59,;12.27,-1.03,;11.95,-2.54,;13.1,-3.57,;12.78,-5.08,;13.92,-6.11,;13.6,-7.61,;14.74,-8.64,;10.49,-3.02,;9.34,-1.99,;10.17,-4.52,;8.7,-5,;7.56,-3.97,;8.38,-6.5,;9.53,-7.53,;6.92,-6.98,;6.6,-8.49,;7.74,-9.52,;7.42,-11.02,;5.96,-11.5,;5.64,-13.01,;6.78,-14.04,;8.25,-13.56,;8.57,-12.05,;5.13,-8.96,;3.99,-7.93,;4.81,-10.47,)| Show InChI InChI=1S/C141H232N44O39/c1-67(2)49-88(163-104(196)61-156-115(200)75(17)160-122(207)89(50-68(3)4)170-120(205)85(41-32-46-153-140(148)149)165-125(210)92(54-82-58-152-66-159-82)175-138(223)113(78(20)190)184-135(220)108(71(9)10)162-79(21)191)123(208)171-90(51-69(5)6)124(209)178-98(65-188)131(216)167-86(42-33-47-154-141(150)151)121(206)177-96(63-186)117(202)157-59-103(195)155-60-106(198)179-109(72(11)12)136(221)181-110(73(13)14)134(219)168-84(40-29-31-45-143)119(204)173-93(55-100(144)192)127(212)174-94(56-101(145)193)126(211)172-91(53-81-37-26-23-27-38-81)128(213)182-111(74(15)16)139(224)185-48-34-43-99(185)132(217)183-112(77(19)189)137(222)176-95(57-102(146)194)129(214)180-107(70(7)8)133(218)158-62-105(197)164-97(64-187)130(215)166-83(39-28-30-44-142)118(203)161-76(18)116(201)169-87(114(147)199)52-80-35-24-22-25-36-80/h22-27,35-38,58,66-78,83-99,107-113,186-190H,28-34,39-57,59-65,142-143H2,1-21H3,(H2,144,192)(H2,145,193)(H2,146,194)(H2,147,199)(H,152,159)(H,155,195)(H,156,200)(H,157,202)(H,158,218)(H,160,207)(H,161,203)(H,162,191)(H,163,196)(H,164,197)(H,165,210)(H,166,215)(H,167,216)(H,168,219)(H,169,201)(H,170,205)(H,171,208)(H,172,211)(H,173,204)(H,174,212)(H,175,223)(H,176,222)(H,177,206)(H,178,209)(H,179,198)(H,180,214)(H,181,221)(H,182,213)(H,183,217)(H,184,220)(H4,148,149,153)(H4,150,151,154)/t75-,76-,77+,78+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,107-,108-,109-,110-,111-,112-,113-/m0/s1 | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Creighton University Curated by PDSP Ki Database | J Pharmacol Exp Ther 299: 1086-94 (2001) BindingDB Entry DOI: 10.7270/Q29C6W07 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Receptor activity-modifying protein 1 (PIG) | BDBM85834 ([Pro14]h alpha-CGRP) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-1-[#6]-[#7]-[#6]-[#7]-1)-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#16])-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6])-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6](-[#6]-[#16])-[#7]-[#6](=O)-[#6](-[#6])-[#7])-[#6](-[#6])-[#8])-[#6](-[#6])-[#8])-[#6](-[#6])-[#6])-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6](-[#6])-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](-[#7])=O Show InChI InChI=1S/C166H277N51O49S2/c1-75(2)55-99(194-138(240)96(45-35-51-179-165(174)175)189-143(245)103(60-93-65-178-74-184-93)201-161(263)130(90(24)224)215-158(260)125(81(13)14)209-152(254)112(73-268)206-162(264)128(88(22)222)212-134(236)85(19)186-159(261)127(87(21)221)213-148(250)107(64-121(231)232)199-151(253)111(72-267)205-132(234)83(17)169)140(242)187-86(20)163(265)216-53-37-47-113(216)153(255)200-101(57-77(5)6)141(243)195-100(56-76(3)4)142(244)204-110(71-220)150(252)191-97(46-36-52-180-166(176)177)139(241)203-108(69-218)135(237)182-66-118(228)181-67-120(230)207-123(79(9)10)157(259)210-124(80(11)12)156(258)192-95(44-32-34-50-168)137(239)197-104(61-115(170)225)145(247)198-105(62-116(171)226)144(246)196-102(59-92-41-29-26-30-42-92)146(248)211-126(82(15)16)164(266)217-54-38-48-114(217)154(256)214-129(89(23)223)160(262)202-106(63-117(172)227)147(249)208-122(78(7)8)155(257)183-68-119(229)188-109(70-219)149(251)190-94(43-31-33-49-167)136(238)185-84(18)133(235)193-98(131(173)233)58-91-39-27-25-28-40-91/h25-30,39-42,75-90,93-114,122-130,178,184,218-224,267-268H,31-38,43-74,167-169H2,1-24H3,(H2,170,225)(H2,171,226)(H2,172,227)(H2,173,233)(H,181,228)(H,182,237)(H,183,257)(H,185,238)(H,186,261)(H,187,242)(H,188,229)(H,189,245)(H,190,251)(H,191,252)(H,192,258)(H,193,235)(H,194,240)(H,195,243)(H,196,246)(H,197,239)(H,198,247)(H,199,253)(H,200,255)(H,201,263)(H,202,262)(H,203,241)(H,204,244)(H,205,234)(H,206,264)(H,207,230)(H,208,249)(H,209,254)(H,210,259)(H,211,248)(H,212,236)(H,213,250)(H,214,256)(H,215,260)(H,231,232)(H4,174,175,179)(H4,176,177,180) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Creighton University Curated by PDSP Ki Database | J Pharmacol Exp Ther 299: 1086-94 (2001) BindingDB Entry DOI: 10.7270/Q29C6W07 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Receptor activity-modifying protein 1 (PIG) | BDBM50000743 (CHEMBL525571 | [Thr-His-Arg-Leu-Ala-Gly-Leu-Leu-Se...) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C139H230N44O38/c1-66(2)48-86(161-102(193)60-155-113(197)74(17)159-120(204)87(49-67(3)4)168-118(202)83(40-31-45-152-138(147)148)163-123(207)90(53-80-57-151-65-158-80)173-136(220)111(77(20)188)182-131(215)105(145)69(7)8)121(205)169-88(50-68(5)6)122(206)176-96(64-186)129(213)165-84(41-32-46-153-139(149)150)119(203)175-94(62-184)115(199)156-58-101(192)154-59-104(195)177-107(71(11)12)134(218)179-108(72(13)14)133(217)166-82(39-28-30-44-141)117(201)171-91(54-98(142)189)125(209)172-92(55-99(143)190)124(208)170-89(52-79-36-25-22-26-37-79)126(210)180-109(73(15)16)137(221)183-47-33-42-97(183)130(214)181-110(76(19)187)135(219)174-93(56-100(144)191)127(211)178-106(70(9)10)132(216)157-61-103(194)162-95(63-185)128(212)164-81(38-27-29-43-140)116(200)160-75(18)114(198)167-85(112(146)196)51-78-34-23-21-24-35-78/h21-26,34-37,57,65-77,81-97,105-111,184-188H,27-33,38-56,58-64,140-141,145H2,1-20H3,(H2,142,189)(H2,143,190)(H2,144,191)(H2,146,196)(H,151,158)(H,154,192)(H,155,197)(H,156,199)(H,157,216)(H,159,204)(H,160,200)(H,161,193)(H,162,194)(H,163,207)(H,164,212)(H,165,213)(H,166,217)(H,167,198)(H,168,202)(H,169,205)(H,170,208)(H,171,201)(H,172,209)(H,173,220)(H,174,219)(H,175,203)(H,176,206)(H,177,195)(H,178,211)(H,179,218)(H,180,210)(H,181,214)(H,182,215)(H4,147,148,152)(H4,149,150,153)/t74-,75-,76+,77+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,105-,106-,107-,108-,109-,110-,111-/m0/s1 | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Creighton University Curated by PDSP Ki Database | J Pharmacol Exp Ther 299: 1086-94 (2001) BindingDB Entry DOI: 10.7270/Q29C6W07 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Calcitonin gene-related peptide type 1 receptor (PIG) | BDBM50000743 (CHEMBL525571 | [Thr-His-Arg-Leu-Ala-Gly-Leu-Leu-Se...) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C139H230N44O38/c1-66(2)48-86(161-102(193)60-155-113(197)74(17)159-120(204)87(49-67(3)4)168-118(202)83(40-31-45-152-138(147)148)163-123(207)90(53-80-57-151-65-158-80)173-136(220)111(77(20)188)182-131(215)105(145)69(7)8)121(205)169-88(50-68(5)6)122(206)176-96(64-186)129(213)165-84(41-32-46-153-139(149)150)119(203)175-94(62-184)115(199)156-58-101(192)154-59-104(195)177-107(71(11)12)134(218)179-108(72(13)14)133(217)166-82(39-28-30-44-141)117(201)171-91(54-98(142)189)125(209)172-92(55-99(143)190)124(208)170-89(52-79-36-25-22-26-37-79)126(210)180-109(73(15)16)137(221)183-47-33-42-97(183)130(214)181-110(76(19)187)135(219)174-93(56-100(144)191)127(211)178-106(70(9)10)132(216)157-61-103(194)162-95(63-185)128(212)164-81(38-27-29-43-140)116(200)160-75(18)114(198)167-85(112(146)196)51-78-34-23-21-24-35-78/h21-26,34-37,57,65-77,81-97,105-111,184-188H,27-33,38-56,58-64,140-141,145H2,1-20H3,(H2,142,189)(H2,143,190)(H2,144,191)(H2,146,196)(H,151,158)(H,154,192)(H,155,197)(H,156,199)(H,157,216)(H,159,204)(H,160,200)(H,161,193)(H,162,194)(H,163,207)(H,164,212)(H,165,213)(H,166,217)(H,167,198)(H,168,202)(H,169,205)(H,170,208)(H,171,201)(H,172,209)(H,173,220)(H,174,219)(H,175,203)(H,176,206)(H,177,195)(H,178,211)(H,179,218)(H,180,210)(H,181,214)(H,182,215)(H4,147,148,152)(H4,149,150,153)/t74-,75-,76+,77+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,105-,106-,107-,108-,109-,110-,111-/m0/s1 | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Creighton University Curated by PDSP Ki Database | J Pharmacol Exp Ther 299: 1086-94 (2001) BindingDB Entry DOI: 10.7270/Q29C6W07 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Calcitonin gene-related peptide type 1 receptor (PIG) | BDBM85834 ([Pro14]h alpha-CGRP) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-1-[#6]-[#7]-[#6]-[#7]-1)-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#16])-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6])-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6](-[#6]-[#16])-[#7]-[#6](=O)-[#6](-[#6])-[#7])-[#6](-[#6])-[#8])-[#6](-[#6])-[#8])-[#6](-[#6])-[#6])-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6](-[#6])-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](-[#7])=O Show InChI InChI=1S/C166H277N51O49S2/c1-75(2)55-99(194-138(240)96(45-35-51-179-165(174)175)189-143(245)103(60-93-65-178-74-184-93)201-161(263)130(90(24)224)215-158(260)125(81(13)14)209-152(254)112(73-268)206-162(264)128(88(22)222)212-134(236)85(19)186-159(261)127(87(21)221)213-148(250)107(64-121(231)232)199-151(253)111(72-267)205-132(234)83(17)169)140(242)187-86(20)163(265)216-53-37-47-113(216)153(255)200-101(57-77(5)6)141(243)195-100(56-76(3)4)142(244)204-110(71-220)150(252)191-97(46-36-52-180-166(176)177)139(241)203-108(69-218)135(237)182-66-118(228)181-67-120(230)207-123(79(9)10)157(259)210-124(80(11)12)156(258)192-95(44-32-34-50-168)137(239)197-104(61-115(170)225)145(247)198-105(62-116(171)226)144(246)196-102(59-92-41-29-26-30-42-92)146(248)211-126(82(15)16)164(266)217-54-38-48-114(217)154(256)214-129(89(23)223)160(262)202-106(63-117(172)227)147(249)208-122(78(7)8)155(257)183-68-119(229)188-109(70-219)149(251)190-94(43-31-33-49-167)136(238)185-84(18)133(235)193-98(131(173)233)58-91-39-27-25-28-40-91/h25-30,39-42,75-90,93-114,122-130,178,184,218-224,267-268H,31-38,43-74,167-169H2,1-24H3,(H2,170,225)(H2,171,226)(H2,172,227)(H2,173,233)(H,181,228)(H,182,237)(H,183,257)(H,185,238)(H,186,261)(H,187,242)(H,188,229)(H,189,245)(H,190,251)(H,191,252)(H,192,258)(H,193,235)(H,194,240)(H,195,243)(H,196,246)(H,197,239)(H,198,247)(H,199,253)(H,200,255)(H,201,263)(H,202,262)(H,203,241)(H,204,244)(H,205,234)(H,206,264)(H,207,230)(H,208,249)(H,209,254)(H,210,259)(H,211,248)(H,212,236)(H,213,250)(H,214,256)(H,215,260)(H,231,232)(H4,174,175,179)(H4,176,177,180) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Creighton University Curated by PDSP Ki Database | J Pharmacol Exp Ther 299: 1086-94 (2001) BindingDB Entry DOI: 10.7270/Q29C6W07 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Receptor activity-modifying protein 1 (PIG) | BDBM85843 ([D-Pen2,7]h alpha-CGRP) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6](-[#6])-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-1-[#6]-[#7]-[#6]-[#7]-1)-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6])-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6])-[#7])-[#6](-[#6])C([#6])([#6])[#16])-[#6](-[#6])-[#8])-[#6](-[#6])-[#8])-[#6](-[#6])C([#6])([#6])[#16])-[#6](-[#6])-[#6])-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6](-[#6])-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](-[#7])=O Show InChI InChI=1S/C171H289N51O49S2/c1-77(2)58-103(194-120(234)71-187-137(241)88(20)191-145(249)104(59-78(3)4)201-143(247)100(50-41-55-184-168(179)180)196-148(252)107(63-97-68-183-76-190-97)206-165(269)133(93(25)228)221-160(264)127(83(13)14)214-162(266)130(86(18)171(29,30)273)217-166(270)134(94(26)229)218-139(243)90(22)193-163(267)131(91(23)226)219-153(257)111(67-123(237)238)208-161(265)129(85(17)170(27,28)272)216-136(240)87(19)174)146(250)202-105(60-79(5)6)147(251)210-114(75-225)155(259)198-101(51-42-56-185-169(181)182)144(248)209-112(73-223)140(244)188-69-119(233)186-70-122(236)211-125(81(9)10)159(263)213-126(82(11)12)158(262)199-99(49-38-40-54-173)142(246)204-108(64-116(175)230)150(254)205-109(65-117(176)231)149(253)203-106(62-96-46-35-32-36-47-96)151(255)215-128(84(15)16)167(271)222-57-43-52-115(222)156(260)220-132(92(24)227)164(268)207-110(66-118(177)232)152(256)212-124(80(7)8)157(261)189-72-121(235)195-113(74-224)154(258)197-98(48-37-39-53-172)141(245)192-89(21)138(242)200-102(135(178)239)61-95-44-33-31-34-45-95/h31-36,44-47,77-94,97-115,124-134,183,190,223-229,272-273H,37-43,48-76,172-174H2,1-30H3,(H2,175,230)(H2,176,231)(H2,177,232)(H2,178,239)(H,186,233)(H,187,241)(H,188,244)(H,189,261)(H,191,249)(H,192,245)(H,193,267)(H,194,234)(H,195,235)(H,196,252)(H,197,258)(H,198,259)(H,199,262)(H,200,242)(H,201,247)(H,202,250)(H,203,253)(H,204,246)(H,205,254)(H,206,269)(H,207,268)(H,208,265)(H,209,248)(H,210,251)(H,211,236)(H,212,256)(H,213,263)(H,214,266)(H,215,255)(H,216,240)(H,217,270)(H,218,243)(H,219,257)(H,220,260)(H,221,264)(H,237,238)(H4,179,180,184)(H4,181,182,185) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 15.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Creighton University Curated by PDSP Ki Database | J Pharmacol Exp Ther 299: 1086-94 (2001) BindingDB Entry DOI: 10.7270/Q29C6W07 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Receptor activity-modifying protein 1 (PIG) | BDBM85841 (Adrenomedullin) Show SMILES [H][C@]1(NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)CC)[C@@H](C)O Show InChI InChI=1S/C264H406N80O77S3/c1-19-132(10)207(335-200(366)120-294-216(377)160(78-84-189(270)355)308-234(395)171(107-142-52-30-24-31-53-142)322-237(398)176(112-196(277)362)324-238(399)175(111-195(276)361)323-230(391)166(90-101-422-18)312-245(406)182(123-346)332-229(390)163(81-87-192(273)358)309-220(381)156(60-42-95-289-261(280)281)302-215(376)151(269)103-144-66-72-148(352)73-67-144)253(414)315-159(63-45-98-292-264(286)287)226(387)331-183(124-347)246(407)320-170(106-141-50-28-23-29-51-141)219(380)295-119-199(365)301-185-126-423-424-127-186(334-256(417)210(137(15)349)336-201(367)121-296-218(379)169(105-140-48-26-22-27-49-140)319-224(385)157(307-247(185)408)61-43-96-290-262(282)283)248(409)342-212(139(17)351)258(419)338-206(131(8)9)252(413)316-164(82-88-193(274)359)227(388)303-152(56-34-38-91-265)221(382)318-168(102-129(4)5)233(394)298-135(13)214(375)317-174(110-147-117-288-128-297-147)236(397)311-165(83-89-194(275)360)232(393)340-208(133(11)20-2)254(415)328-172(109-146-70-76-150(354)77-71-146)235(396)310-162(80-86-191(272)357)228(389)321-173(108-143-54-32-25-33-55-143)242(403)341-211(138(16)350)257(418)329-180(116-204(372)373)240(401)305-154(58-36-40-93-267)222(383)326-178(114-202(368)369)239(400)304-153(57-35-39-92-266)223(384)327-179(115-203(370)371)241(402)325-177(113-197(278)363)243(404)337-205(130(6)7)251(412)299-136(14)259(420)343-99-46-64-187(343)249(410)313-158(62-44-97-291-263(284)285)225(386)330-181(122-345)244(405)306-155(59-37-41-94-268)231(392)339-209(134(12)21-3)255(416)333-184(125-348)260(421)344-100-47-65-188(344)250(411)314-161(79-85-190(271)356)217(378)293-118-198(364)300-167(213(279)374)104-145-68-74-149(353)75-69-145/h22-33,48-55,66-77,117,128-139,151-188,205-212,345-354H,19-21,34-47,56-65,78-116,118-127,265-269H2,1-18H3,(H2,270,355)(H2,271,356)(H2,272,357)(H2,273,358)(H2,274,359)(H2,275,360)(H2,276,361)(H2,277,362)(H2,278,363)(H2,279,374)(H,288,297)(H,293,378)(H,294,377)(H,295,380)(H,296,379)(H,298,394)(H,299,412)(H,300,364)(H,301,365)(H,302,376)(H,303,388)(H,304,400)(H,305,401)(H,306,405)(H,307,408)(H,308,395)(H,309,381)(H,310,396)(H,311,397)(H,312,406)(H,313,410)(H,314,411)(H,315,414)(H,316,413)(H,317,375)(H,318,382)(H,319,385)(H,320,407)(H,321,389)(H,322,398)(H,323,391)(H,324,399)(H,325,402)(H,326,383)(H,327,384)(H,328,415)(H,329,418)(H,330,386)(H,331,387)(H,332,390)(H,333,416)(H,334,417)(H,335,366)(H,336,367)(H,337,404)(H,338,419)(H,339,392)(H,340,393)(H,341,403)(H,342,409)(H,368,369)(H,370,371)(H,372,373)(H4,280,281,289)(H4,282,283,290)(H4,284,285,291)(H4,286,287,292)/t132-,133-,134-,135-,136-,137+,138+,139+,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,205-,206-,207-,208-,209-,210-,211-,212-/m0/s1 | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 19.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Creighton University Curated by PDSP Ki Database | J Pharmacol Exp Ther 299: 1086-94 (2001) BindingDB Entry DOI: 10.7270/Q29C6W07 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Calcitonin gene-related peptide type 1 receptor (PIG) | BDBM85843 ([D-Pen2,7]h alpha-CGRP) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6](-[#6])-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-1-[#6]-[#7]-[#6]-[#7]-1)-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6])-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6])-[#7])-[#6](-[#6])C([#6])([#6])[#16])-[#6](-[#6])-[#8])-[#6](-[#6])-[#8])-[#6](-[#6])C([#6])([#6])[#16])-[#6](-[#6])-[#6])-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6](-[#6])-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](-[#7])=O Show InChI InChI=1S/C171H289N51O49S2/c1-77(2)58-103(194-120(234)71-187-137(241)88(20)191-145(249)104(59-78(3)4)201-143(247)100(50-41-55-184-168(179)180)196-148(252)107(63-97-68-183-76-190-97)206-165(269)133(93(25)228)221-160(264)127(83(13)14)214-162(266)130(86(18)171(29,30)273)217-166(270)134(94(26)229)218-139(243)90(22)193-163(267)131(91(23)226)219-153(257)111(67-123(237)238)208-161(265)129(85(17)170(27,28)272)216-136(240)87(19)174)146(250)202-105(60-79(5)6)147(251)210-114(75-225)155(259)198-101(51-42-56-185-169(181)182)144(248)209-112(73-223)140(244)188-69-119(233)186-70-122(236)211-125(81(9)10)159(263)213-126(82(11)12)158(262)199-99(49-38-40-54-173)142(246)204-108(64-116(175)230)150(254)205-109(65-117(176)231)149(253)203-106(62-96-46-35-32-36-47-96)151(255)215-128(84(15)16)167(271)222-57-43-52-115(222)156(260)220-132(92(24)227)164(268)207-110(66-118(177)232)152(256)212-124(80(7)8)157(261)189-72-121(235)195-113(74-224)154(258)197-98(48-37-39-53-172)141(245)192-89(21)138(242)200-102(135(178)239)61-95-44-33-31-34-45-95/h31-36,44-47,77-94,97-115,124-134,183,190,223-229,272-273H,37-43,48-76,172-174H2,1-30H3,(H2,175,230)(H2,176,231)(H2,177,232)(H2,178,239)(H,186,233)(H,187,241)(H,188,244)(H,189,261)(H,191,249)(H,192,245)(H,193,267)(H,194,234)(H,195,235)(H,196,252)(H,197,258)(H,198,259)(H,199,262)(H,200,242)(H,201,247)(H,202,250)(H,203,253)(H,204,246)(H,205,254)(H,206,269)(H,207,268)(H,208,265)(H,209,248)(H,210,251)(H,211,236)(H,212,256)(H,213,263)(H,214,266)(H,215,255)(H,216,240)(H,217,270)(H,218,243)(H,219,257)(H,220,260)(H,221,264)(H,237,238)(H4,179,180,184)(H4,181,182,185) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Creighton University Curated by PDSP Ki Database | J Pharmacol Exp Ther 299: 1086-94 (2001) BindingDB Entry DOI: 10.7270/Q29C6W07 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Receptor activity-modifying protein 1 (PIG) | BDBM85835 ([Cys(ACM)2,7]h alpha-CGRP) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6](-[#6])-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-1-[#6]-[#7]-[#6]-[#7]-1)-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#16]-[#6]-[#7]-[#6](-[#6])=O)-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6])-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6](-[#6]-[#16]-[#6]-[#7]-[#6](-[#6])=O)-[#7]-[#6](=O)-[#6](-[#6])-[#7])-[#6](-[#6])-[#8])-[#6](-[#6])-[#8])-[#6](-[#6])-[#6])-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6](-[#6])-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](-[#7])=O Show InChI InChI=1S/C169H283N53O51S2/c1-77(2)54-103(194-122(236)67-185-137(243)86(18)191-145(251)104(55-78(3)4)201-143(249)100(46-37-51-182-168(177)178)196-148(254)107(59-97-64-181-74-188-97)207-165(271)134(92(24)229)221-162(268)129(83(13)14)215-157(263)116(73-275-76-190-94(26)231)212-166(272)132(90(22)227)218-139(245)88(20)193-163(269)131(89(21)226)219-153(259)111(63-125(239)240)206-156(262)115(211-136(242)85(17)172)72-274-75-189-93(25)230)146(252)202-105(56-79(5)6)147(253)210-114(71-225)155(261)198-101(47-38-52-183-169(179)180)144(250)209-112(69-223)140(246)186-65-121(235)184-66-124(238)213-127(81(9)10)161(267)216-128(82(11)12)160(266)199-99(45-34-36-50-171)142(248)204-108(60-118(173)232)150(256)205-109(61-119(174)233)149(255)203-106(58-96-42-31-28-32-43-96)151(257)217-130(84(15)16)167(273)222-53-39-48-117(222)158(264)220-133(91(23)228)164(270)208-110(62-120(175)234)152(258)214-126(80(7)8)159(265)187-68-123(237)195-113(70-224)154(260)197-98(44-33-35-49-170)141(247)192-87(19)138(244)200-102(135(176)241)57-95-40-29-27-30-41-95/h27-32,40-43,77-92,97-117,126-134,181,188,223-229H,33-39,44-76,170-172H2,1-26H3,(H2,173,232)(H2,174,233)(H2,175,234)(H2,176,241)(H,184,235)(H,185,243)(H,186,246)(H,187,265)(H,189,230)(H,190,231)(H,191,251)(H,192,247)(H,193,269)(H,194,236)(H,195,237)(H,196,254)(H,197,260)(H,198,261)(H,199,266)(H,200,244)(H,201,249)(H,202,252)(H,203,255)(H,204,248)(H,205,256)(H,206,262)(H,207,271)(H,208,270)(H,209,250)(H,210,253)(H,211,242)(H,212,272)(H,213,238)(H,214,258)(H,215,263)(H,216,267)(H,217,257)(H,218,245)(H,219,259)(H,220,264)(H,221,268)(H,239,240)(H4,177,178,182)(H4,179,180,183) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Creighton University Curated by PDSP Ki Database | J Pharmacol Exp Ther 299: 1086-94 (2001) BindingDB Entry DOI: 10.7270/Q29C6W07 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Calcitonin gene-related peptide type 1 receptor (PIG) | BDBM85838 ([Cha37]h alpha-CGRP8-37) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1CCCCC1)C(N)=O |wU:165.169,55.57,164.166,139.139,123.123,114.114,196.198,100.100,61.61,17.21,25.32,75.75,210.212,50.51,wD:150.151,171.173,179.181,131.131,190.192,107.107,4.4,69.69,36.43,86.86,46.47,160.163,205.208,12.12,(77.08,2.16,;77.08,.62,;75.75,-.15,;78.41,-.15,;78.41,-1.69,;79.75,-2.46,;81.08,-1.69,;81.08,-.15,;82.42,-2.46,;83.75,-1.69,;85.08,-2.46,;85.08,-4,;86.42,-1.69,;86.42,-.15,;87.75,-2.46,;89.08,-1.69,;89.08,-.15,;90.42,-2.46,;90.42,-4,;91.75,-4.77,;91.75,-6.31,;93.08,-4,;91.75,-1.69,;91.75,-.15,;90.42,.62,;93.08,.62,;94.42,-.15,;94.42,-1.69,;95.75,-2.46,;95.75,-4,;97.09,-4.77,;97.09,-6.31,;98.42,-4,;93.08,2.16,;94.42,2.93,;95.75,2.16,;94.42,4.47,;93.08,5.24,;93.08,6.79,;91.84,7.69,;92.31,9.15,;93.85,9.15,;94.33,7.69,;95.75,5.24,;97.09,4.47,;97.09,2.93,;98.42,5.24,;99.75,4.47,;101.09,5.24,;101.09,6.79,;102.42,4.47,;103.75,5.24,;102.42,2.93,;103.75,2.16,;101.09,2.16,;98.42,6.79,;97.09,7.56,;99.75,7.56,;77.08,-2.46,;75.75,-1.69,;77.08,-4,;75.75,-4.77,;75.75,-6.31,;77.08,-7.08,;77.08,-8.62,;78.41,-6.31,;74.41,-4,;74.41,-2.46,;73.08,-4.77,;71.75,-4,;71.75,-2.46,;73.08,-1.69,;70.41,-4.77,;70.41,-6.31,;69.08,-4,;67.74,-4.77,;67.74,-6.31,;69.08,-7.08,;69.08,-8.62,;70.41,-9.39,;70.41,-10.93,;71.75,-11.7,;69.08,-11.7,;66.41,-4,;66.41,-2.46,;65.08,-4.77,;63.74,-4,;63.74,-2.46,;65.08,-1.69,;62.41,-4.77,;62.41,-6.31,;61.08,-4,;59.74,-4.77,;58.41,-4,;58.41,-2.46,;57.07,-4.77,;55.74,-4,;54.41,-4.77,;54.41,-6.31,;53.07,-4,;51.74,-4.77,;51.74,-6.31,;53.07,-7.08,;50.41,-7.08,;50.41,-4,;50.41,-2.46,;49.07,-4.77,;47.74,-4,;47.74,-2.46,;49.07,-1.69,;46.41,-1.69,;46.41,-4.77,;46.41,-6.31,;45.07,-4,;43.74,-4.77,;43.74,-6.31,;45.07,-7.08,;45.07,-8.62,;46.41,-9.39,;46.41,-10.93,;42.4,-4,;42.4,-2.46,;41.07,-4.77,;39.74,-4,;38.4,-4.77,;38.4,-6.31,;37.07,-7.08,;39.74,-7.08,;39.74,-2.46,;41.07,-1.69,;38.4,-1.69,;38.4,-.15,;39.74,.62,;39.74,2.16,;41.07,2.93,;38.4,2.93,;37.07,.62,;37.07,2.16,;35.74,-.15,;34.4,.62,;33.07,-.15,;33.07,-1.69,;31.73,-2.46,;31.73,-4,;33.07,-4.77,;34.4,-4,;34.4,-2.46,;34.4,2.16,;35.74,2.93,;33.07,2.93,;33.07,4.47,;34.4,5.24,;34.4,6.79,;35.74,4.47,;31.73,5.24,;30.4,4.47,;31.73,6.79,;32.98,7.69,;32.5,9.15,;30.96,9.15,;30.49,7.69,;29.02,7.21,;28.7,5.71,;27.88,8.24,;26.41,7.77,;26.09,6.26,;27.24,5.23,;24.63,5.79,;25.27,8.8,;25.59,10.31,;23.81,8.32,;22.66,9.35,;22.98,10.86,;21.84,11.89,;22.16,13.4,;20.37,11.42,;21.2,8.88,;20.05,9.91,;20.88,7.37,;19.41,6.9,;18.27,7.93,;16.8,7.45,;18.59,9.43,;19.09,5.39,;20.24,4.36,;17.63,4.91,;17.31,3.41,;15.84,2.93,;14.7,3.96,;15.52,1.42,;14.06,.95,;12.91,1.98,;11.45,1.5,;13.74,-.56,;14.88,-1.59,;12.27,-1.03,;11.95,-2.54,;13.1,-3.57,;12.78,-5.08,;13.92,-6.11,;13.6,-7.61,;14.74,-8.64,;10.49,-3.02,;9.34,-1.99,;10.17,-4.52,;8.7,-5,;7.56,-3.97,;8.38,-6.5,;9.53,-7.53,;6.92,-6.98,;6.6,-8.49,;7.74,-9.52,;7.42,-11.02,;5.96,-11.5,;5.64,-13.01,;6.78,-14.04,;8.25,-13.56,;8.57,-12.05,;5.13,-8.96,;3.99,-7.93,;4.81,-10.47,)| Show InChI InChI=1S/C139H236N44O38/c1-66(2)48-86(161-102(193)60-155-113(197)74(17)159-120(204)87(49-67(3)4)168-118(202)83(40-31-45-152-138(147)148)163-123(207)90(53-80-57-151-65-158-80)173-136(220)111(77(20)188)182-131(215)105(145)69(7)8)121(205)169-88(50-68(5)6)122(206)176-96(64-186)129(213)165-84(41-32-46-153-139(149)150)119(203)175-94(62-184)115(199)156-58-101(192)154-59-104(195)177-107(71(11)12)134(218)179-108(72(13)14)133(217)166-82(39-28-30-44-141)117(201)171-91(54-98(142)189)125(209)172-92(55-99(143)190)124(208)170-89(52-79-36-25-22-26-37-79)126(210)180-109(73(15)16)137(221)183-47-33-42-97(183)130(214)181-110(76(19)187)135(219)174-93(56-100(144)191)127(211)178-106(70(9)10)132(216)157-61-103(194)162-95(63-185)128(212)164-81(38-27-29-43-140)116(200)160-75(18)114(198)167-85(112(146)196)51-78-34-23-21-24-35-78/h22,25-26,36-37,57,65-78,81-97,105-111,184-188H,21,23-24,27-35,38-56,58-64,140-141,145H2,1-20H3,(H2,142,189)(H2,143,190)(H2,144,191)(H2,146,196)(H,151,158)(H,154,192)(H,155,197)(H,156,199)(H,157,216)(H,159,204)(H,160,200)(H,161,193)(H,162,194)(H,163,207)(H,164,212)(H,165,213)(H,166,217)(H,167,198)(H,168,202)(H,169,205)(H,170,208)(H,171,201)(H,172,209)(H,173,220)(H,174,219)(H,175,203)(H,176,206)(H,177,195)(H,178,211)(H,179,218)(H,180,210)(H,181,214)(H,182,215)(H4,147,148,152)(H4,149,150,153)/t74-,75-,76+,77+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,105-,106-,107-,108-,109-,110-,111-/m0/s1 | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 32.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Creighton University Curated by PDSP Ki Database | J Pharmacol Exp Ther 299: 1086-94 (2001) BindingDB Entry DOI: 10.7270/Q29C6W07 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Receptor activity-modifying protein 1 (PIG) | BDBM85838 ([Cha37]h alpha-CGRP8-37) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1CCCCC1)C(N)=O |wU:165.169,55.57,164.166,139.139,123.123,114.114,196.198,100.100,61.61,17.21,25.32,75.75,210.212,50.51,wD:150.151,171.173,179.181,131.131,190.192,107.107,4.4,69.69,36.43,86.86,46.47,160.163,205.208,12.12,(77.08,2.16,;77.08,.62,;75.75,-.15,;78.41,-.15,;78.41,-1.69,;79.75,-2.46,;81.08,-1.69,;81.08,-.15,;82.42,-2.46,;83.75,-1.69,;85.08,-2.46,;85.08,-4,;86.42,-1.69,;86.42,-.15,;87.75,-2.46,;89.08,-1.69,;89.08,-.15,;90.42,-2.46,;90.42,-4,;91.75,-4.77,;91.75,-6.31,;93.08,-4,;91.75,-1.69,;91.75,-.15,;90.42,.62,;93.08,.62,;94.42,-.15,;94.42,-1.69,;95.75,-2.46,;95.75,-4,;97.09,-4.77,;97.09,-6.31,;98.42,-4,;93.08,2.16,;94.42,2.93,;95.75,2.16,;94.42,4.47,;93.08,5.24,;93.08,6.79,;91.84,7.69,;92.31,9.15,;93.85,9.15,;94.33,7.69,;95.75,5.24,;97.09,4.47,;97.09,2.93,;98.42,5.24,;99.75,4.47,;101.09,5.24,;101.09,6.79,;102.42,4.47,;103.75,5.24,;102.42,2.93,;103.75,2.16,;101.09,2.16,;98.42,6.79,;97.09,7.56,;99.75,7.56,;77.08,-2.46,;75.75,-1.69,;77.08,-4,;75.75,-4.77,;75.75,-6.31,;77.08,-7.08,;77.08,-8.62,;78.41,-6.31,;74.41,-4,;74.41,-2.46,;73.08,-4.77,;71.75,-4,;71.75,-2.46,;73.08,-1.69,;70.41,-4.77,;70.41,-6.31,;69.08,-4,;67.74,-4.77,;67.74,-6.31,;69.08,-7.08,;69.08,-8.62,;70.41,-9.39,;70.41,-10.93,;71.75,-11.7,;69.08,-11.7,;66.41,-4,;66.41,-2.46,;65.08,-4.77,;63.74,-4,;63.74,-2.46,;65.08,-1.69,;62.41,-4.77,;62.41,-6.31,;61.08,-4,;59.74,-4.77,;58.41,-4,;58.41,-2.46,;57.07,-4.77,;55.74,-4,;54.41,-4.77,;54.41,-6.31,;53.07,-4,;51.74,-4.77,;51.74,-6.31,;53.07,-7.08,;50.41,-7.08,;50.41,-4,;50.41,-2.46,;49.07,-4.77,;47.74,-4,;47.74,-2.46,;49.07,-1.69,;46.41,-1.69,;46.41,-4.77,;46.41,-6.31,;45.07,-4,;43.74,-4.77,;43.74,-6.31,;45.07,-7.08,;45.07,-8.62,;46.41,-9.39,;46.41,-10.93,;42.4,-4,;42.4,-2.46,;41.07,-4.77,;39.74,-4,;38.4,-4.77,;38.4,-6.31,;37.07,-7.08,;39.74,-7.08,;39.74,-2.46,;41.07,-1.69,;38.4,-1.69,;38.4,-.15,;39.74,.62,;39.74,2.16,;41.07,2.93,;38.4,2.93,;37.07,.62,;37.07,2.16,;35.74,-.15,;34.4,.62,;33.07,-.15,;33.07,-1.69,;31.73,-2.46,;31.73,-4,;33.07,-4.77,;34.4,-4,;34.4,-2.46,;34.4,2.16,;35.74,2.93,;33.07,2.93,;33.07,4.47,;34.4,5.24,;34.4,6.79,;35.74,4.47,;31.73,5.24,;30.4,4.47,;31.73,6.79,;32.98,7.69,;32.5,9.15,;30.96,9.15,;30.49,7.69,;29.02,7.21,;28.7,5.71,;27.88,8.24,;26.41,7.77,;26.09,6.26,;27.24,5.23,;24.63,5.79,;25.27,8.8,;25.59,10.31,;23.81,8.32,;22.66,9.35,;22.98,10.86,;21.84,11.89,;22.16,13.4,;20.37,11.42,;21.2,8.88,;20.05,9.91,;20.88,7.37,;19.41,6.9,;18.27,7.93,;16.8,7.45,;18.59,9.43,;19.09,5.39,;20.24,4.36,;17.63,4.91,;17.31,3.41,;15.84,2.93,;14.7,3.96,;15.52,1.42,;14.06,.95,;12.91,1.98,;11.45,1.5,;13.74,-.56,;14.88,-1.59,;12.27,-1.03,;11.95,-2.54,;13.1,-3.57,;12.78,-5.08,;13.92,-6.11,;13.6,-7.61,;14.74,-8.64,;10.49,-3.02,;9.34,-1.99,;10.17,-4.52,;8.7,-5,;7.56,-3.97,;8.38,-6.5,;9.53,-7.53,;6.92,-6.98,;6.6,-8.49,;7.74,-9.52,;7.42,-11.02,;5.96,-11.5,;5.64,-13.01,;6.78,-14.04,;8.25,-13.56,;8.57,-12.05,;5.13,-8.96,;3.99,-7.93,;4.81,-10.47,)| Show InChI InChI=1S/C139H236N44O38/c1-66(2)48-86(161-102(193)60-155-113(197)74(17)159-120(204)87(49-67(3)4)168-118(202)83(40-31-45-152-138(147)148)163-123(207)90(53-80-57-151-65-158-80)173-136(220)111(77(20)188)182-131(215)105(145)69(7)8)121(205)169-88(50-68(5)6)122(206)176-96(64-186)129(213)165-84(41-32-46-153-139(149)150)119(203)175-94(62-184)115(199)156-58-101(192)154-59-104(195)177-107(71(11)12)134(218)179-108(72(13)14)133(217)166-82(39-28-30-44-141)117(201)171-91(54-98(142)189)125(209)172-92(55-99(143)190)124(208)170-89(52-79-36-25-22-26-37-79)126(210)180-109(73(15)16)137(221)183-47-33-42-97(183)130(214)181-110(76(19)187)135(219)174-93(56-100(144)191)127(211)178-106(70(9)10)132(216)157-61-103(194)162-95(63-185)128(212)164-81(38-27-29-43-140)116(200)160-75(18)114(198)167-85(112(146)196)51-78-34-23-21-24-35-78/h22,25-26,36-37,57,65-78,81-97,105-111,184-188H,21,23-24,27-35,38-56,58-64,140-141,145H2,1-20H3,(H2,142,189)(H2,143,190)(H2,144,191)(H2,146,196)(H,151,158)(H,154,192)(H,155,197)(H,156,199)(H,157,216)(H,159,204)(H,160,200)(H,161,193)(H,162,194)(H,163,207)(H,164,212)(H,165,213)(H,166,217)(H,167,198)(H,168,202)(H,169,205)(H,170,208)(H,171,201)(H,172,209)(H,173,220)(H,174,219)(H,175,203)(H,176,206)(H,177,195)(H,178,211)(H,179,218)(H,180,210)(H,181,214)(H,182,215)(H4,147,148,152)(H4,149,150,153)/t74-,75-,76+,77+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,105-,106-,107-,108-,109-,110-,111-/m0/s1 | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 37.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Creighton University Curated by PDSP Ki Database | J Pharmacol Exp Ther 299: 1086-94 (2001) BindingDB Entry DOI: 10.7270/Q29C6W07 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Calcitonin gene-related peptide type 1 receptor (PIG) | BDBM85835 ([Cys(ACM)2,7]h alpha-CGRP) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6](-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6](-[#6])-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6](-[#6]-[#6]-1-[#6]-[#7]-[#6]-[#7]-1)-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#16]-[#6]-[#7]-[#6](-[#6])=O)-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6])-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6](-[#6]-[#16]-[#6]-[#7]-[#6](-[#6])=O)-[#7]-[#6](=O)-[#6](-[#6])-[#7])-[#6](-[#6])-[#8])-[#6](-[#6])-[#8])-[#6](-[#6])-[#6])-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#8])-[#6](=O)-[#7]-[#6](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6](-[#6]-[#8])-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6](-[#6])-[#6](=O)-[#7]-[#6](-[#6]-c1ccccc1)-[#6](-[#7])=O Show InChI InChI=1S/C169H283N53O51S2/c1-77(2)54-103(194-122(236)67-185-137(243)86(18)191-145(251)104(55-78(3)4)201-143(249)100(46-37-51-182-168(177)178)196-148(254)107(59-97-64-181-74-188-97)207-165(271)134(92(24)229)221-162(268)129(83(13)14)215-157(263)116(73-275-76-190-94(26)231)212-166(272)132(90(22)227)218-139(245)88(20)193-163(269)131(89(21)226)219-153(259)111(63-125(239)240)206-156(262)115(211-136(242)85(17)172)72-274-75-189-93(25)230)146(252)202-105(56-79(5)6)147(253)210-114(71-225)155(261)198-101(47-38-52-183-169(179)180)144(250)209-112(69-223)140(246)186-65-121(235)184-66-124(238)213-127(81(9)10)161(267)216-128(82(11)12)160(266)199-99(45-34-36-50-171)142(248)204-108(60-118(173)232)150(256)205-109(61-119(174)233)149(255)203-106(58-96-42-31-28-32-43-96)151(257)217-130(84(15)16)167(273)222-53-39-48-117(222)158(264)220-133(91(23)228)164(270)208-110(62-120(175)234)152(258)214-126(80(7)8)159(265)187-68-123(237)195-113(70-224)154(260)197-98(44-33-35-49-170)141(247)192-87(19)138(244)200-102(135(176)241)57-95-40-29-27-30-41-95/h27-32,40-43,77-92,97-117,126-134,181,188,223-229H,33-39,44-76,170-172H2,1-26H3,(H2,173,232)(H2,174,233)(H2,175,234)(H2,176,241)(H,184,235)(H,185,243)(H,186,246)(H,187,265)(H,189,230)(H,190,231)(H,191,251)(H,192,247)(H,193,269)(H,194,236)(H,195,237)(H,196,254)(H,197,260)(H,198,261)(H,199,266)(H,200,244)(H,201,249)(H,202,252)(H,203,255)(H,204,248)(H,205,256)(H,206,262)(H,207,271)(H,208,270)(H,209,250)(H,210,253)(H,211,242)(H,212,272)(H,213,238)(H,214,258)(H,215,263)(H,216,267)(H,217,257)(H,218,245)(H,219,259)(H,220,264)(H,221,268)(H,239,240)(H4,177,178,182)(H4,179,180,183) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 38.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Creighton University Curated by PDSP Ki Database | J Pharmacol Exp Ther 299: 1086-94 (2001) BindingDB Entry DOI: 10.7270/Q29C6W07 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Calcitonin gene-related peptide type 1 receptor (PIG) | BDBM85839 ([Pro34,Phe35]h alpha-CGRP27-37) Show SMILES [H][N]1([#6]-[#6]-[#6]-[#6@H]1-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O)[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1)-[#6@@H](-[#6])-[#8])-[#6](-[#6])-[#6] Show InChI InChI=1S/C46H66N11O11/c1-25(2)37(55-43(65)33(23-35(47)59)54-46(68)38(27(4)58)56-41(63)30-17-11-19-49-30)45(67)50-24-36(60)57-20-12-18-34(57)44(66)53-32(22-29-15-9-6-10-16-29)42(64)51-26(3)40(62)52-31(39(48)61)21-28-13-7-5-8-14-28/h5-10,13-16,25-27,30-34,37-38,49,57-58H,11-12,17-24H2,1-4H3,(H2,47,59)(H2,48,61)(H,50,67)(H,51,64)(H,52,62)(H,53,66)(H,54,68)(H,55,65)(H,56,63)/t26-,27+,30-,31-,32-,33-,34-,37-,38-/m0/s1 | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 50.7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Creighton University Curated by PDSP Ki Database | J Pharmacol Exp Ther 299: 1086-94 (2001) BindingDB Entry DOI: 10.7270/Q29C6W07 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Receptor activity-modifying protein 1 (PIG) | BDBM85839 ([Pro34,Phe35]h alpha-CGRP27-37) Show SMILES [H][N]1([#6]-[#6]-[#6]-[#6@H]1-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#7])=O)[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1)-[#6@@H](-[#6])-[#8])-[#6](-[#6])-[#6] Show InChI InChI=1S/C46H66N11O11/c1-25(2)37(55-43(65)33(23-35(47)59)54-46(68)38(27(4)58)56-41(63)30-17-11-19-49-30)45(67)50-24-36(60)57-20-12-18-34(57)44(66)53-32(22-29-15-9-6-10-16-29)42(64)51-26(3)40(62)52-31(39(48)61)21-28-13-7-5-8-14-28/h5-10,13-16,25-27,30-34,37-38,49,57-58H,11-12,17-24H2,1-4H3,(H2,47,59)(H2,48,61)(H,50,67)(H,51,64)(H,52,62)(H,53,66)(H,54,68)(H,55,65)(H,56,63)/t26-,27+,30-,31-,32-,33-,34-,37-,38-/m0/s1 | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 118 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Creighton University Curated by PDSP Ki Database | J Pharmacol Exp Ther 299: 1086-94 (2001) BindingDB Entry DOI: 10.7270/Q29C6W07 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Calcitonin gene-related peptide type 1 receptor (PIG) | BDBM85842 ([Ala37]h alpha-CGRP8-37) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O |wU:165.169,55.57,164.166,139.139,123.123,114.114,196.198,100.100,61.61,17.21,25.32,75.75,50.51,210.213,wD:150.151,171.173,179.181,131.131,190.192,107.107,4.4,69.69,36.43,86.86,46.47,160.163,205.208,12.12,(77.08,2.16,;77.08,.62,;75.75,-.15,;78.41,-.15,;78.41,-1.69,;79.75,-2.46,;81.08,-1.69,;81.08,-.15,;82.42,-2.46,;83.75,-1.69,;85.08,-2.46,;85.08,-4,;86.42,-1.69,;86.42,-.15,;87.75,-2.46,;89.08,-1.69,;89.08,-.15,;90.42,-2.46,;90.42,-4,;91.75,-4.77,;91.75,-6.31,;93.08,-4,;91.75,-1.69,;91.75,-.15,;90.42,.62,;93.08,.62,;94.42,-.15,;94.42,-1.69,;95.75,-2.46,;95.75,-4,;97.09,-4.77,;97.09,-6.31,;98.42,-4,;93.08,2.16,;94.42,2.93,;95.75,2.16,;94.42,4.47,;93.08,5.24,;93.08,6.79,;91.84,7.69,;92.31,9.15,;93.85,9.15,;94.33,7.69,;95.75,5.24,;97.09,4.47,;97.09,2.93,;98.42,5.24,;99.75,4.47,;101.09,5.24,;101.09,6.79,;102.42,4.47,;103.75,5.24,;102.42,2.93,;103.75,2.16,;101.09,2.16,;98.42,6.79,;97.09,7.56,;99.75,7.56,;77.08,-2.46,;75.75,-1.69,;77.08,-4,;75.75,-4.77,;75.75,-6.31,;77.08,-7.08,;77.08,-8.62,;78.41,-6.31,;74.41,-4,;74.41,-2.46,;73.08,-4.77,;71.75,-4,;71.75,-2.46,;73.08,-1.69,;70.41,-4.77,;70.41,-6.31,;69.08,-4,;67.74,-4.77,;67.74,-6.31,;69.08,-7.08,;69.08,-8.62,;70.41,-9.39,;70.41,-10.93,;71.75,-11.7,;69.08,-11.7,;66.41,-4,;66.41,-2.46,;65.08,-4.77,;63.74,-4,;63.74,-2.46,;65.08,-1.69,;62.41,-4.77,;62.41,-6.31,;61.08,-4,;59.74,-4.77,;58.41,-4,;58.41,-2.46,;57.07,-4.77,;55.74,-4,;54.41,-4.77,;54.41,-6.31,;53.07,-4,;51.74,-4.77,;51.74,-6.31,;53.07,-7.08,;50.41,-7.08,;50.41,-4,;50.41,-2.46,;49.07,-4.77,;47.74,-4,;47.74,-2.46,;49.07,-1.69,;46.41,-1.69,;46.41,-4.77,;46.41,-6.31,;45.07,-4,;43.74,-4.77,;43.74,-6.31,;45.07,-7.08,;45.07,-8.62,;46.41,-9.39,;46.41,-10.93,;42.4,-4,;42.4,-2.46,;41.07,-4.77,;39.74,-4,;38.4,-4.77,;38.4,-6.31,;37.07,-7.08,;39.74,-7.08,;39.74,-2.46,;41.07,-1.69,;38.4,-1.69,;38.4,-.15,;39.74,.62,;39.74,2.16,;41.07,2.93,;38.4,2.93,;37.07,.62,;37.07,2.16,;35.74,-.15,;34.4,.62,;33.07,-.15,;33.07,-1.69,;31.73,-2.46,;31.73,-4,;33.07,-4.77,;34.4,-4,;34.4,-2.46,;34.4,2.16,;35.74,2.93,;33.07,2.93,;33.07,4.47,;34.4,5.24,;34.4,6.79,;35.74,4.47,;31.73,5.24,;30.4,4.47,;31.73,6.79,;32.98,7.69,;32.5,9.15,;30.96,9.15,;30.49,7.69,;29.02,7.21,;28.7,5.71,;27.88,8.24,;26.41,7.77,;26.09,6.26,;27.24,5.23,;24.63,5.79,;25.27,8.8,;25.59,10.31,;23.81,8.32,;22.66,9.35,;22.98,10.86,;21.84,11.89,;22.16,13.4,;20.37,11.42,;21.2,8.88,;20.05,9.91,;20.88,7.37,;19.41,6.9,;18.27,7.93,;16.8,7.45,;18.59,9.43,;19.09,5.39,;20.24,4.36,;17.63,4.91,;17.31,3.41,;15.84,2.93,;14.7,3.96,;15.52,1.42,;14.06,.95,;12.91,1.98,;11.45,1.5,;13.74,-.56,;14.88,-1.59,;12.27,-1.03,;11.95,-2.54,;13.1,-3.57,;12.78,-5.08,;13.92,-6.11,;13.6,-7.61,;14.74,-8.64,;10.49,-3.02,;9.34,-1.99,;10.17,-4.52,;8.7,-5,;7.56,-3.97,;8.38,-6.5,;9.53,-7.53,;6.92,-6.98,;6.6,-8.49,;7.74,-9.52,;5.13,-8.96,;3.99,-7.93,;4.81,-10.47,)| Show InChI InChI=1S/C133H226N44O38/c1-61(2)44-80(156-96(187)55-149-107(191)70(18)154-114(198)81(45-62(3)4)162-112(196)78(36-29-41-146-132(141)142)158-117(201)84(48-75-52-145-60-152-75)167-130(214)105(73(21)182)176-125(209)99(139)64(7)8)115(199)163-82(46-63(5)6)116(200)170-90(59-180)123(207)160-79(37-30-42-147-133(143)144)113(197)169-88(57-178)109(193)150-53-95(186)148-54-98(189)171-101(66(11)12)128(212)173-102(67(13)14)127(211)161-77(35-26-28-40-135)111(195)165-85(49-92(136)183)119(203)166-86(50-93(137)184)118(202)164-83(47-74-32-23-22-24-33-74)120(204)174-103(68(15)16)131(215)177-43-31-38-91(177)124(208)175-104(72(20)181)129(213)168-87(51-94(138)185)121(205)172-100(65(9)10)126(210)151-56-97(188)157-89(58-179)122(206)159-76(34-25-27-39-134)110(194)155-71(19)108(192)153-69(17)106(140)190/h22-24,32-33,52,60-73,76-91,99-105,178-182H,25-31,34-51,53-59,134-135,139H2,1-21H3,(H2,136,183)(H2,137,184)(H2,138,185)(H2,140,190)(H,145,152)(H,148,186)(H,149,191)(H,150,193)(H,151,210)(H,153,192)(H,154,198)(H,155,194)(H,156,187)(H,157,188)(H,158,201)(H,159,206)(H,160,207)(H,161,211)(H,162,196)(H,163,199)(H,164,202)(H,165,195)(H,166,203)(H,167,214)(H,168,213)(H,169,197)(H,170,200)(H,171,189)(H,172,205)(H,173,212)(H,174,204)(H,175,208)(H,176,209)(H4,141,142,146)(H4,143,144,147)/t69-,70-,71-,72+,73+,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,99-,100-,101-,102-,103-,104-,105-/m0/s1 | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Creighton University Curated by PDSP Ki Database | J Pharmacol Exp Ther 299: 1086-94 (2001) BindingDB Entry DOI: 10.7270/Q29C6W07 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Receptor activity-modifying protein 1 (PIG) | BDBM85842 ([Ala37]h alpha-CGRP8-37) Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(N)=O |wU:165.169,55.57,164.166,139.139,123.123,114.114,196.198,100.100,61.61,17.21,25.32,75.75,50.51,210.213,wD:150.151,171.173,179.181,131.131,190.192,107.107,4.4,69.69,36.43,86.86,46.47,160.163,205.208,12.12,(77.08,2.16,;77.08,.62,;75.75,-.15,;78.41,-.15,;78.41,-1.69,;79.75,-2.46,;81.08,-1.69,;81.08,-.15,;82.42,-2.46,;83.75,-1.69,;85.08,-2.46,;85.08,-4,;86.42,-1.69,;86.42,-.15,;87.75,-2.46,;89.08,-1.69,;89.08,-.15,;90.42,-2.46,;90.42,-4,;91.75,-4.77,;91.75,-6.31,;93.08,-4,;91.75,-1.69,;91.75,-.15,;90.42,.62,;93.08,.62,;94.42,-.15,;94.42,-1.69,;95.75,-2.46,;95.75,-4,;97.09,-4.77,;97.09,-6.31,;98.42,-4,;93.08,2.16,;94.42,2.93,;95.75,2.16,;94.42,4.47,;93.08,5.24,;93.08,6.79,;91.84,7.69,;92.31,9.15,;93.85,9.15,;94.33,7.69,;95.75,5.24,;97.09,4.47,;97.09,2.93,;98.42,5.24,;99.75,4.47,;101.09,5.24,;101.09,6.79,;102.42,4.47,;103.75,5.24,;102.42,2.93,;103.75,2.16,;101.09,2.16,;98.42,6.79,;97.09,7.56,;99.75,7.56,;77.08,-2.46,;75.75,-1.69,;77.08,-4,;75.75,-4.77,;75.75,-6.31,;77.08,-7.08,;77.08,-8.62,;78.41,-6.31,;74.41,-4,;74.41,-2.46,;73.08,-4.77,;71.75,-4,;71.75,-2.46,;73.08,-1.69,;70.41,-4.77,;70.41,-6.31,;69.08,-4,;67.74,-4.77,;67.74,-6.31,;69.08,-7.08,;69.08,-8.62,;70.41,-9.39,;70.41,-10.93,;71.75,-11.7,;69.08,-11.7,;66.41,-4,;66.41,-2.46,;65.08,-4.77,;63.74,-4,;63.74,-2.46,;65.08,-1.69,;62.41,-4.77,;62.41,-6.31,;61.08,-4,;59.74,-4.77,;58.41,-4,;58.41,-2.46,;57.07,-4.77,;55.74,-4,;54.41,-4.77,;54.41,-6.31,;53.07,-4,;51.74,-4.77,;51.74,-6.31,;53.07,-7.08,;50.41,-7.08,;50.41,-4,;50.41,-2.46,;49.07,-4.77,;47.74,-4,;47.74,-2.46,;49.07,-1.69,;46.41,-1.69,;46.41,-4.77,;46.41,-6.31,;45.07,-4,;43.74,-4.77,;43.74,-6.31,;45.07,-7.08,;45.07,-8.62,;46.41,-9.39,;46.41,-10.93,;42.4,-4,;42.4,-2.46,;41.07,-4.77,;39.74,-4,;38.4,-4.77,;38.4,-6.31,;37.07,-7.08,;39.74,-7.08,;39.74,-2.46,;41.07,-1.69,;38.4,-1.69,;38.4,-.15,;39.74,.62,;39.74,2.16,;41.07,2.93,;38.4,2.93,;37.07,.62,;37.07,2.16,;35.74,-.15,;34.4,.62,;33.07,-.15,;33.07,-1.69,;31.73,-2.46,;31.73,-4,;33.07,-4.77,;34.4,-4,;34.4,-2.46,;34.4,2.16,;35.74,2.93,;33.07,2.93,;33.07,4.47,;34.4,5.24,;34.4,6.79,;35.74,4.47,;31.73,5.24,;30.4,4.47,;31.73,6.79,;32.98,7.69,;32.5,9.15,;30.96,9.15,;30.49,7.69,;29.02,7.21,;28.7,5.71,;27.88,8.24,;26.41,7.77,;26.09,6.26,;27.24,5.23,;24.63,5.79,;25.27,8.8,;25.59,10.31,;23.81,8.32,;22.66,9.35,;22.98,10.86,;21.84,11.89,;22.16,13.4,;20.37,11.42,;21.2,8.88,;20.05,9.91,;20.88,7.37,;19.41,6.9,;18.27,7.93,;16.8,7.45,;18.59,9.43,;19.09,5.39,;20.24,4.36,;17.63,4.91,;17.31,3.41,;15.84,2.93,;14.7,3.96,;15.52,1.42,;14.06,.95,;12.91,1.98,;11.45,1.5,;13.74,-.56,;14.88,-1.59,;12.27,-1.03,;11.95,-2.54,;13.1,-3.57,;12.78,-5.08,;13.92,-6.11,;13.6,-7.61,;14.74,-8.64,;10.49,-3.02,;9.34,-1.99,;10.17,-4.52,;8.7,-5,;7.56,-3.97,;8.38,-6.5,;9.53,-7.53,;6.92,-6.98,;6.6,-8.49,;7.74,-9.52,;5.13,-8.96,;3.99,-7.93,;4.81,-10.47,)| Show InChI InChI=1S/C133H226N44O38/c1-61(2)44-80(156-96(187)55-149-107(191)70(18)154-114(198)81(45-62(3)4)162-112(196)78(36-29-41-146-132(141)142)158-117(201)84(48-75-52-145-60-152-75)167-130(214)105(73(21)182)176-125(209)99(139)64(7)8)115(199)163-82(46-63(5)6)116(200)170-90(59-180)123(207)160-79(37-30-42-147-133(143)144)113(197)169-88(57-178)109(193)150-53-95(186)148-54-98(189)171-101(66(11)12)128(212)173-102(67(13)14)127(211)161-77(35-26-28-40-135)111(195)165-85(49-92(136)183)119(203)166-86(50-93(137)184)118(202)164-83(47-74-32-23-22-24-33-74)120(204)174-103(68(15)16)131(215)177-43-31-38-91(177)124(208)175-104(72(20)181)129(213)168-87(51-94(138)185)121(205)172-100(65(9)10)126(210)151-56-97(188)157-89(58-179)122(206)159-76(34-25-27-39-134)110(194)155-71(19)108(192)153-69(17)106(140)190/h22-24,32-33,52,60-73,76-91,99-105,178-182H,25-31,34-51,53-59,134-135,139H2,1-21H3,(H2,136,183)(H2,137,184)(H2,138,185)(H2,140,190)(H,145,152)(H,148,186)(H,149,191)(H,150,193)(H,151,210)(H,153,192)(H,154,198)(H,155,194)(H,156,187)(H,157,188)(H,158,201)(H,159,206)(H,160,207)(H,161,211)(H,162,196)(H,163,199)(H,164,202)(H,165,195)(H,166,203)(H,167,214)(H,168,213)(H,169,197)(H,170,200)(H,171,189)(H,172,205)(H,173,212)(H,174,204)(H,175,208)(H,176,209)(H4,141,142,146)(H4,143,144,147)/t69-,70-,71-,72+,73+,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,99-,100-,101-,102-,103-,104-,105-/m0/s1 | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Creighton University Curated by PDSP Ki Database | J Pharmacol Exp Ther 299: 1086-94 (2001) BindingDB Entry DOI: 10.7270/Q29C6W07 | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
