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BDBM82409 Beta MSH::beta MSH, human

SMILES: CSCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(O)=O

InChI Key: InChIKey=XLLJFSCSXTYVTN-UPWOUFKKSA-N

Data: 7 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 82409   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM82409
PNG
(Beta MSH | beta MSH, human)
Show SMILES CSCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(O)=O |wU:122.125,111.113,101.102,167.175,4.4,51.57,wD:133.136,151.156,160.167,92.93,171.178,180.187,8.15,19.28,31.31,42.49,59.66,68.75,77.84,86.89,(-17.08,12.08,;-16.31,10.8,;-14.72,10.87,;-13.83,9.69,;-12.36,9.77,;-11.38,8.47,;-12.05,7.07,;-13.66,6.93,;-11.16,5.8,;-9.57,5.94,;-8.95,7.46,;-7.38,7.6,;-6.78,9.07,;-5.24,9.24,;-4.69,10.8,;-4.31,8.11,;-11.74,4.38,;-10.9,3.13,;-9.36,3.61,;-11.64,1.8,;-10.75,.55,;-9.21,.58,;-8.3,-.7,;-6.71,-.5,;-6.09,.82,;-4.55,.91,;-7.02,2.04,;-8.52,1.97,;-13.13,1.68,;-13.83,.34,;-15.23,.7,;-12.97,-.99,;-11.52,-1.13,;-11.11,-2.53,;-12.44,-3.44,;-13.66,-2.38,;-15.08,-2.74,;-16.05,-1.73,;-15.44,-4.19,;-16.89,-4.55,;-17.3,-5.94,;-18.84,-6.35,;-16.14,-6.93,;-14.6,-6.57,;-13.54,-7.63,;-12.12,-7.24,;-11.11,-8.3,;-11.67,-5.65,;-16.55,-8.52,;-15.49,-9.57,;-13.98,-9.24,;-15.85,-11.11,;-17.39,-10.97,;-18.21,-12.1,;-17.78,-13.5,;-19.82,-11.88,;-14.6,-12.08,;-14.99,-13.5,;-16.53,-14.02,;-13.83,-14.46,;-12.36,-14.02,;-12.05,-12.49,;-10.61,-11.96,;-10.32,-10.46,;-8.8,-9.93,;-14.22,-16.07,;-13.06,-17.1,;-10.82,-17.1,;-13.98,-18.23,;-13.47,-19.68,;-12,-19.97,;-11.5,-21.39,;-9.96,-21.63,;-9.48,-23.04,;-15.49,-17.99,;-16.53,-19.05,;-17.95,-18.69,;-16.05,-20.47,;-14.6,-20.88,;-14.24,-22.35,;-12.82,-22.68,;-12.56,-24.18,;-11.67,-21.63,;-17.25,-21.58,;-16.91,-23.04,;-15.35,-23.93,;-18.16,-23.79,;-18.16,-25.07,;-19.39,-23.04,;-11.67,11.04,;-10.1,11.19,;-12.56,12.27,;-12.05,13.69,;-10.46,13.9,;-9.55,12.65,;-8.08,12.92,;-7.31,11.72,;-7.41,14.39,;-12.92,14.82,;-14.43,14.72,;-12.36,16.21,;-13.28,17.46,;-14.75,17.3,;-15.71,18.43,;-15.13,19.97,;-16.38,20.95,;-17.58,20.11,;-17.25,18.57,;-12.56,18.79,;-13.47,20.38,;-11.02,18.57,;-10.2,19.85,;-9.84,21.46,;-10.97,22.4,;-12.36,21.99,;-13.66,23.12,;-13.33,24.56,;-11.86,25.07,;-10.66,24.08,;-8.59,19.82,;-7.53,21.63,;-7.89,18.43,;-6.47,18.43,;-5.58,19.82,;-3.92,19.77,;-3.13,21.1,;-1.59,21.07,;-.75,22.35,;.77,22.16,;-1.4,23.79,;-5.58,17.1,;-6.35,15.71,;-4.09,16.98,;-2.77,16.36,;-2.69,14.79,;-1.59,14.02,;-.12,14.65,;1.03,13.5,;.24,12.1,;.65,10.61,;-.22,9.43,;-1.76,9.79,;-2.29,11.33,;-1.32,12.58,;-1.59,17.1,;-1.47,18.76,;-.36,16.21,;.91,16.77,;1.18,18.31,;-.12,19.15,;2.6,18.79,;3.8,17.8,;3.49,16.26,;4.62,15.35,;5.24,18.38,;5.36,19.85,;6.42,17.51,;6.42,16.07,;7.84,15.49,;8.73,16.89,;7.99,18.02,;8.47,19.53,;7.67,20.47,;9.79,20.04,;10.15,21.63,;11.76,21.65,;12.29,20.23,;11.26,19.29,;11.4,17.73,;10.68,16.5,;12.8,17.1,;12.87,15.56,;11.69,14.65,;11.81,13.04,;10.63,12.22,;10.75,10.68,;9.6,9.77,;14.34,14.96,;14.63,13.04,;15.37,16.19,;16.84,15.85,;17.32,14.39,;18.88,14.12,;19.82,15.3,;19.29,12.63,;17.87,16.98,;19.36,16.74,;17.32,18.43,)|
Show InChI InChI=1S/C118H174N34O35S/c1-63(122)97(167)135-77(36-39-93(159)160)105(175)137-71(23-8-11-42-119)100(170)136-72(24-9-12-43-120)102(172)147-84(55-95(163)164)111(181)140-76(35-38-92(157)158)98(168)132-60-91(156)150-47-16-28-87(150)112(182)148-81(52-65-31-33-68(154)34-32-65)109(179)138-74(26-14-45-128-117(123)124)101(171)142-79(41-50-188-2)107(177)141-78(37-40-94(161)162)106(176)146-83(54-67-58-127-62-133-67)110(180)144-80(51-64-19-4-3-5-20-64)108(178)139-75(27-15-46-129-118(125)126)103(173)145-82(53-66-57-130-70-22-7-6-21-69(66)70)99(169)131-59-90(155)134-86(61-153)114(184)152-49-18-30-89(152)115(185)151-48-17-29-88(151)113(183)143-73(25-10-13-44-121)104(174)149-85(116(186)187)56-96(165)166/h3-7,19-22,31-34,57-58,62-63,71-89,130,153-154H,8-18,23-30,35-56,59-61,119-122H2,1-2H3,(H,127,133)(H,131,169)(H,132,168)(H,134,155)(H,135,167)(H,136,170)(H,137,175)(H,138,179)(H,139,178)(H,140,181)(H,141,177)(H,142,171)(H,143,183)(H,144,180)(H,145,173)(H,146,176)(H,147,172)(H,148,182)(H,149,174)(H,157,158)(H,159,160)(H,161,162)(H,163,164)(H,165,166)(H,186,187)(H4,123,124,128)(H4,125,126,129)/t63-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.17n/an/an/an/an/an/an/an/a



Uppsala

Curated by PDSP Ki Database




Eur J Pharmacol 288: 311-7 (1995)


Article DOI: 10.1016/0922-4106(95)90043-8
BindingDB Entry DOI: 10.7270/Q2M32T8H
More data for this
Ligand-Target Pair
Melanocyte-stimulating hormone receptor


(Homo sapiens (Human))
BDBM82409
PNG
(Beta MSH | beta MSH, human)
Show SMILES CSCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(O)=O |wU:122.125,111.113,101.102,167.175,4.4,51.57,wD:133.136,151.156,160.167,92.93,171.178,180.187,8.15,19.28,31.31,42.49,59.66,68.75,77.84,86.89,(-17.08,12.08,;-16.31,10.8,;-14.72,10.87,;-13.83,9.69,;-12.36,9.77,;-11.38,8.47,;-12.05,7.07,;-13.66,6.93,;-11.16,5.8,;-9.57,5.94,;-8.95,7.46,;-7.38,7.6,;-6.78,9.07,;-5.24,9.24,;-4.69,10.8,;-4.31,8.11,;-11.74,4.38,;-10.9,3.13,;-9.36,3.61,;-11.64,1.8,;-10.75,.55,;-9.21,.58,;-8.3,-.7,;-6.71,-.5,;-6.09,.82,;-4.55,.91,;-7.02,2.04,;-8.52,1.97,;-13.13,1.68,;-13.83,.34,;-15.23,.7,;-12.97,-.99,;-11.52,-1.13,;-11.11,-2.53,;-12.44,-3.44,;-13.66,-2.38,;-15.08,-2.74,;-16.05,-1.73,;-15.44,-4.19,;-16.89,-4.55,;-17.3,-5.94,;-18.84,-6.35,;-16.14,-6.93,;-14.6,-6.57,;-13.54,-7.63,;-12.12,-7.24,;-11.11,-8.3,;-11.67,-5.65,;-16.55,-8.52,;-15.49,-9.57,;-13.98,-9.24,;-15.85,-11.11,;-17.39,-10.97,;-18.21,-12.1,;-17.78,-13.5,;-19.82,-11.88,;-14.6,-12.08,;-14.99,-13.5,;-16.53,-14.02,;-13.83,-14.46,;-12.36,-14.02,;-12.05,-12.49,;-10.61,-11.96,;-10.32,-10.46,;-8.8,-9.93,;-14.22,-16.07,;-13.06,-17.1,;-10.82,-17.1,;-13.98,-18.23,;-13.47,-19.68,;-12,-19.97,;-11.5,-21.39,;-9.96,-21.63,;-9.48,-23.04,;-15.49,-17.99,;-16.53,-19.05,;-17.95,-18.69,;-16.05,-20.47,;-14.6,-20.88,;-14.24,-22.35,;-12.82,-22.68,;-12.56,-24.18,;-11.67,-21.63,;-17.25,-21.58,;-16.91,-23.04,;-15.35,-23.93,;-18.16,-23.79,;-18.16,-25.07,;-19.39,-23.04,;-11.67,11.04,;-10.1,11.19,;-12.56,12.27,;-12.05,13.69,;-10.46,13.9,;-9.55,12.65,;-8.08,12.92,;-7.31,11.72,;-7.41,14.39,;-12.92,14.82,;-14.43,14.72,;-12.36,16.21,;-13.28,17.46,;-14.75,17.3,;-15.71,18.43,;-15.13,19.97,;-16.38,20.95,;-17.58,20.11,;-17.25,18.57,;-12.56,18.79,;-13.47,20.38,;-11.02,18.57,;-10.2,19.85,;-9.84,21.46,;-10.97,22.4,;-12.36,21.99,;-13.66,23.12,;-13.33,24.56,;-11.86,25.07,;-10.66,24.08,;-8.59,19.82,;-7.53,21.63,;-7.89,18.43,;-6.47,18.43,;-5.58,19.82,;-3.92,19.77,;-3.13,21.1,;-1.59,21.07,;-.75,22.35,;.77,22.16,;-1.4,23.79,;-5.58,17.1,;-6.35,15.71,;-4.09,16.98,;-2.77,16.36,;-2.69,14.79,;-1.59,14.02,;-.12,14.65,;1.03,13.5,;.24,12.1,;.65,10.61,;-.22,9.43,;-1.76,9.79,;-2.29,11.33,;-1.32,12.58,;-1.59,17.1,;-1.47,18.76,;-.36,16.21,;.91,16.77,;1.18,18.31,;-.12,19.15,;2.6,18.79,;3.8,17.8,;3.49,16.26,;4.62,15.35,;5.24,18.38,;5.36,19.85,;6.42,17.51,;6.42,16.07,;7.84,15.49,;8.73,16.89,;7.99,18.02,;8.47,19.53,;7.67,20.47,;9.79,20.04,;10.15,21.63,;11.76,21.65,;12.29,20.23,;11.26,19.29,;11.4,17.73,;10.68,16.5,;12.8,17.1,;12.87,15.56,;11.69,14.65,;11.81,13.04,;10.63,12.22,;10.75,10.68,;9.6,9.77,;14.34,14.96,;14.63,13.04,;15.37,16.19,;16.84,15.85,;17.32,14.39,;18.88,14.12,;19.82,15.3,;19.29,12.63,;17.87,16.98,;19.36,16.74,;17.32,18.43,)|
Show InChI InChI=1S/C118H174N34O35S/c1-63(122)97(167)135-77(36-39-93(159)160)105(175)137-71(23-8-11-42-119)100(170)136-72(24-9-12-43-120)102(172)147-84(55-95(163)164)111(181)140-76(35-38-92(157)158)98(168)132-60-91(156)150-47-16-28-87(150)112(182)148-81(52-65-31-33-68(154)34-32-65)109(179)138-74(26-14-45-128-117(123)124)101(171)142-79(41-50-188-2)107(177)141-78(37-40-94(161)162)106(176)146-83(54-67-58-127-62-133-67)110(180)144-80(51-64-19-4-3-5-20-64)108(178)139-75(27-15-46-129-118(125)126)103(173)145-82(53-66-57-130-70-22-7-6-21-69(66)70)99(169)131-59-90(155)134-86(61-153)114(184)152-49-18-30-89(152)115(185)151-48-17-29-88(151)113(183)143-73(25-10-13-44-121)104(174)149-85(116(186)187)56-96(165)166/h3-7,19-22,31-34,57-58,62-63,71-89,130,153-154H,8-18,23-30,35-56,59-61,119-122H2,1-2H3,(H,127,133)(H,131,169)(H,132,168)(H,134,155)(H,135,167)(H,136,170)(H,137,175)(H,138,179)(H,139,178)(H,140,181)(H,141,177)(H,142,171)(H,143,183)(H,144,180)(H,145,173)(H,146,176)(H,147,172)(H,148,182)(H,149,174)(H,157,158)(H,159,160)(H,161,162)(H,163,164)(H,165,166)(H,186,187)(H4,123,124,128)(H4,125,126,129)/t63-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.17n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Pharmacol Toxicol 79: 161-5 (1996)


Article DOI: 10.1111/j.1600-0773.1996.tb00261.x
BindingDB Entry DOI: 10.7270/Q26W98M7
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM82409
PNG
(Beta MSH | beta MSH, human)
Show SMILES CSCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(O)=O |wU:122.125,111.113,101.102,167.175,4.4,51.57,wD:133.136,151.156,160.167,92.93,171.178,180.187,8.15,19.28,31.31,42.49,59.66,68.75,77.84,86.89,(-17.08,12.08,;-16.31,10.8,;-14.72,10.87,;-13.83,9.69,;-12.36,9.77,;-11.38,8.47,;-12.05,7.07,;-13.66,6.93,;-11.16,5.8,;-9.57,5.94,;-8.95,7.46,;-7.38,7.6,;-6.78,9.07,;-5.24,9.24,;-4.69,10.8,;-4.31,8.11,;-11.74,4.38,;-10.9,3.13,;-9.36,3.61,;-11.64,1.8,;-10.75,.55,;-9.21,.58,;-8.3,-.7,;-6.71,-.5,;-6.09,.82,;-4.55,.91,;-7.02,2.04,;-8.52,1.97,;-13.13,1.68,;-13.83,.34,;-15.23,.7,;-12.97,-.99,;-11.52,-1.13,;-11.11,-2.53,;-12.44,-3.44,;-13.66,-2.38,;-15.08,-2.74,;-16.05,-1.73,;-15.44,-4.19,;-16.89,-4.55,;-17.3,-5.94,;-18.84,-6.35,;-16.14,-6.93,;-14.6,-6.57,;-13.54,-7.63,;-12.12,-7.24,;-11.11,-8.3,;-11.67,-5.65,;-16.55,-8.52,;-15.49,-9.57,;-13.98,-9.24,;-15.85,-11.11,;-17.39,-10.97,;-18.21,-12.1,;-17.78,-13.5,;-19.82,-11.88,;-14.6,-12.08,;-14.99,-13.5,;-16.53,-14.02,;-13.83,-14.46,;-12.36,-14.02,;-12.05,-12.49,;-10.61,-11.96,;-10.32,-10.46,;-8.8,-9.93,;-14.22,-16.07,;-13.06,-17.1,;-10.82,-17.1,;-13.98,-18.23,;-13.47,-19.68,;-12,-19.97,;-11.5,-21.39,;-9.96,-21.63,;-9.48,-23.04,;-15.49,-17.99,;-16.53,-19.05,;-17.95,-18.69,;-16.05,-20.47,;-14.6,-20.88,;-14.24,-22.35,;-12.82,-22.68,;-12.56,-24.18,;-11.67,-21.63,;-17.25,-21.58,;-16.91,-23.04,;-15.35,-23.93,;-18.16,-23.79,;-18.16,-25.07,;-19.39,-23.04,;-11.67,11.04,;-10.1,11.19,;-12.56,12.27,;-12.05,13.69,;-10.46,13.9,;-9.55,12.65,;-8.08,12.92,;-7.31,11.72,;-7.41,14.39,;-12.92,14.82,;-14.43,14.72,;-12.36,16.21,;-13.28,17.46,;-14.75,17.3,;-15.71,18.43,;-15.13,19.97,;-16.38,20.95,;-17.58,20.11,;-17.25,18.57,;-12.56,18.79,;-13.47,20.38,;-11.02,18.57,;-10.2,19.85,;-9.84,21.46,;-10.97,22.4,;-12.36,21.99,;-13.66,23.12,;-13.33,24.56,;-11.86,25.07,;-10.66,24.08,;-8.59,19.82,;-7.53,21.63,;-7.89,18.43,;-6.47,18.43,;-5.58,19.82,;-3.92,19.77,;-3.13,21.1,;-1.59,21.07,;-.75,22.35,;.77,22.16,;-1.4,23.79,;-5.58,17.1,;-6.35,15.71,;-4.09,16.98,;-2.77,16.36,;-2.69,14.79,;-1.59,14.02,;-.12,14.65,;1.03,13.5,;.24,12.1,;.65,10.61,;-.22,9.43,;-1.76,9.79,;-2.29,11.33,;-1.32,12.58,;-1.59,17.1,;-1.47,18.76,;-.36,16.21,;.91,16.77,;1.18,18.31,;-.12,19.15,;2.6,18.79,;3.8,17.8,;3.49,16.26,;4.62,15.35,;5.24,18.38,;5.36,19.85,;6.42,17.51,;6.42,16.07,;7.84,15.49,;8.73,16.89,;7.99,18.02,;8.47,19.53,;7.67,20.47,;9.79,20.04,;10.15,21.63,;11.76,21.65,;12.29,20.23,;11.26,19.29,;11.4,17.73,;10.68,16.5,;12.8,17.1,;12.87,15.56,;11.69,14.65,;11.81,13.04,;10.63,12.22,;10.75,10.68,;9.6,9.77,;14.34,14.96,;14.63,13.04,;15.37,16.19,;16.84,15.85,;17.32,14.39,;18.88,14.12,;19.82,15.3,;19.29,12.63,;17.87,16.98,;19.36,16.74,;17.32,18.43,)|
Show InChI InChI=1S/C118H174N34O35S/c1-63(122)97(167)135-77(36-39-93(159)160)105(175)137-71(23-8-11-42-119)100(170)136-72(24-9-12-43-120)102(172)147-84(55-95(163)164)111(181)140-76(35-38-92(157)158)98(168)132-60-91(156)150-47-16-28-87(150)112(182)148-81(52-65-31-33-68(154)34-32-65)109(179)138-74(26-14-45-128-117(123)124)101(171)142-79(41-50-188-2)107(177)141-78(37-40-94(161)162)106(176)146-83(54-67-58-127-62-133-67)110(180)144-80(51-64-19-4-3-5-20-64)108(178)139-75(27-15-46-129-118(125)126)103(173)145-82(53-66-57-130-70-22-7-6-21-69(66)70)99(169)131-59-90(155)134-86(61-153)114(184)152-49-18-30-89(152)115(185)151-48-17-29-88(151)113(183)143-73(25-10-13-44-121)104(174)149-85(116(186)187)56-96(165)166/h3-7,19-22,31-34,57-58,62-63,71-89,130,153-154H,8-18,23-30,35-56,59-61,119-122H2,1-2H3,(H,127,133)(H,131,169)(H,132,168)(H,134,155)(H,135,167)(H,136,170)(H,137,175)(H,138,179)(H,139,178)(H,140,181)(H,141,177)(H,142,171)(H,143,183)(H,144,180)(H,145,173)(H,146,176)(H,147,172)(H,148,182)(H,149,174)(H,157,158)(H,159,160)(H,161,162)(H,163,164)(H,165,166)(H,186,187)(H4,123,124,128)(H4,125,126,129)/t63-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-/m0/s1
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KEGG
PC cid
PC sid
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13.4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Pharmacol Toxicol 79: 161-5 (1996)


Article DOI: 10.1111/j.1600-0773.1996.tb00261.x
BindingDB Entry DOI: 10.7270/Q26W98M7
More data for this
Ligand-Target Pair
Melanocortin receptor 3


(Homo sapiens (Human))
BDBM82409
PNG
(Beta MSH | beta MSH, human)
Show SMILES CSCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(O)=O |wU:122.125,111.113,101.102,167.175,4.4,51.57,wD:133.136,151.156,160.167,92.93,171.178,180.187,8.15,19.28,31.31,42.49,59.66,68.75,77.84,86.89,(-17.08,12.08,;-16.31,10.8,;-14.72,10.87,;-13.83,9.69,;-12.36,9.77,;-11.38,8.47,;-12.05,7.07,;-13.66,6.93,;-11.16,5.8,;-9.57,5.94,;-8.95,7.46,;-7.38,7.6,;-6.78,9.07,;-5.24,9.24,;-4.69,10.8,;-4.31,8.11,;-11.74,4.38,;-10.9,3.13,;-9.36,3.61,;-11.64,1.8,;-10.75,.55,;-9.21,.58,;-8.3,-.7,;-6.71,-.5,;-6.09,.82,;-4.55,.91,;-7.02,2.04,;-8.52,1.97,;-13.13,1.68,;-13.83,.34,;-15.23,.7,;-12.97,-.99,;-11.52,-1.13,;-11.11,-2.53,;-12.44,-3.44,;-13.66,-2.38,;-15.08,-2.74,;-16.05,-1.73,;-15.44,-4.19,;-16.89,-4.55,;-17.3,-5.94,;-18.84,-6.35,;-16.14,-6.93,;-14.6,-6.57,;-13.54,-7.63,;-12.12,-7.24,;-11.11,-8.3,;-11.67,-5.65,;-16.55,-8.52,;-15.49,-9.57,;-13.98,-9.24,;-15.85,-11.11,;-17.39,-10.97,;-18.21,-12.1,;-17.78,-13.5,;-19.82,-11.88,;-14.6,-12.08,;-14.99,-13.5,;-16.53,-14.02,;-13.83,-14.46,;-12.36,-14.02,;-12.05,-12.49,;-10.61,-11.96,;-10.32,-10.46,;-8.8,-9.93,;-14.22,-16.07,;-13.06,-17.1,;-10.82,-17.1,;-13.98,-18.23,;-13.47,-19.68,;-12,-19.97,;-11.5,-21.39,;-9.96,-21.63,;-9.48,-23.04,;-15.49,-17.99,;-16.53,-19.05,;-17.95,-18.69,;-16.05,-20.47,;-14.6,-20.88,;-14.24,-22.35,;-12.82,-22.68,;-12.56,-24.18,;-11.67,-21.63,;-17.25,-21.58,;-16.91,-23.04,;-15.35,-23.93,;-18.16,-23.79,;-18.16,-25.07,;-19.39,-23.04,;-11.67,11.04,;-10.1,11.19,;-12.56,12.27,;-12.05,13.69,;-10.46,13.9,;-9.55,12.65,;-8.08,12.92,;-7.31,11.72,;-7.41,14.39,;-12.92,14.82,;-14.43,14.72,;-12.36,16.21,;-13.28,17.46,;-14.75,17.3,;-15.71,18.43,;-15.13,19.97,;-16.38,20.95,;-17.58,20.11,;-17.25,18.57,;-12.56,18.79,;-13.47,20.38,;-11.02,18.57,;-10.2,19.85,;-9.84,21.46,;-10.97,22.4,;-12.36,21.99,;-13.66,23.12,;-13.33,24.56,;-11.86,25.07,;-10.66,24.08,;-8.59,19.82,;-7.53,21.63,;-7.89,18.43,;-6.47,18.43,;-5.58,19.82,;-3.92,19.77,;-3.13,21.1,;-1.59,21.07,;-.75,22.35,;.77,22.16,;-1.4,23.79,;-5.58,17.1,;-6.35,15.71,;-4.09,16.98,;-2.77,16.36,;-2.69,14.79,;-1.59,14.02,;-.12,14.65,;1.03,13.5,;.24,12.1,;.65,10.61,;-.22,9.43,;-1.76,9.79,;-2.29,11.33,;-1.32,12.58,;-1.59,17.1,;-1.47,18.76,;-.36,16.21,;.91,16.77,;1.18,18.31,;-.12,19.15,;2.6,18.79,;3.8,17.8,;3.49,16.26,;4.62,15.35,;5.24,18.38,;5.36,19.85,;6.42,17.51,;6.42,16.07,;7.84,15.49,;8.73,16.89,;7.99,18.02,;8.47,19.53,;7.67,20.47,;9.79,20.04,;10.15,21.63,;11.76,21.65,;12.29,20.23,;11.26,19.29,;11.4,17.73,;10.68,16.5,;12.8,17.1,;12.87,15.56,;11.69,14.65,;11.81,13.04,;10.63,12.22,;10.75,10.68,;9.6,9.77,;14.34,14.96,;14.63,13.04,;15.37,16.19,;16.84,15.85,;17.32,14.39,;18.88,14.12,;19.82,15.3,;19.29,12.63,;17.87,16.98,;19.36,16.74,;17.32,18.43,)|
Show InChI InChI=1S/C118H174N34O35S/c1-63(122)97(167)135-77(36-39-93(159)160)105(175)137-71(23-8-11-42-119)100(170)136-72(24-9-12-43-120)102(172)147-84(55-95(163)164)111(181)140-76(35-38-92(157)158)98(168)132-60-91(156)150-47-16-28-87(150)112(182)148-81(52-65-31-33-68(154)34-32-65)109(179)138-74(26-14-45-128-117(123)124)101(171)142-79(41-50-188-2)107(177)141-78(37-40-94(161)162)106(176)146-83(54-67-58-127-62-133-67)110(180)144-80(51-64-19-4-3-5-20-64)108(178)139-75(27-15-46-129-118(125)126)103(173)145-82(53-66-57-130-70-22-7-6-21-69(66)70)99(169)131-59-90(155)134-86(61-153)114(184)152-49-18-30-89(152)115(185)151-48-17-29-88(151)113(183)143-73(25-10-13-44-121)104(174)149-85(116(186)187)56-96(165)166/h3-7,19-22,31-34,57-58,62-63,71-89,130,153-154H,8-18,23-30,35-56,59-61,119-122H2,1-2H3,(H,127,133)(H,131,169)(H,132,168)(H,134,155)(H,135,167)(H,136,170)(H,137,175)(H,138,179)(H,139,178)(H,140,181)(H,141,177)(H,142,171)(H,143,183)(H,144,180)(H,145,173)(H,146,176)(H,147,172)(H,148,182)(H,149,174)(H,157,158)(H,159,160)(H,161,162)(H,163,164)(H,165,166)(H,186,187)(H4,123,124,128)(H4,125,126,129)/t63-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-/m0/s1
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13.4n/an/an/an/an/an/an/an/a



Uppsala

Curated by PDSP Ki Database




Eur J Pharmacol 288: 311-7 (1995)


Article DOI: 10.1016/0922-4106(95)90043-8
BindingDB Entry DOI: 10.7270/Q2M32T8H
More data for this
Ligand-Target Pair
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM82409
PNG
(Beta MSH | beta MSH, human)
Show SMILES CSCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(O)=O |wU:122.125,111.113,101.102,167.175,4.4,51.57,wD:133.136,151.156,160.167,92.93,171.178,180.187,8.15,19.28,31.31,42.49,59.66,68.75,77.84,86.89,(-17.08,12.08,;-16.31,10.8,;-14.72,10.87,;-13.83,9.69,;-12.36,9.77,;-11.38,8.47,;-12.05,7.07,;-13.66,6.93,;-11.16,5.8,;-9.57,5.94,;-8.95,7.46,;-7.38,7.6,;-6.78,9.07,;-5.24,9.24,;-4.69,10.8,;-4.31,8.11,;-11.74,4.38,;-10.9,3.13,;-9.36,3.61,;-11.64,1.8,;-10.75,.55,;-9.21,.58,;-8.3,-.7,;-6.71,-.5,;-6.09,.82,;-4.55,.91,;-7.02,2.04,;-8.52,1.97,;-13.13,1.68,;-13.83,.34,;-15.23,.7,;-12.97,-.99,;-11.52,-1.13,;-11.11,-2.53,;-12.44,-3.44,;-13.66,-2.38,;-15.08,-2.74,;-16.05,-1.73,;-15.44,-4.19,;-16.89,-4.55,;-17.3,-5.94,;-18.84,-6.35,;-16.14,-6.93,;-14.6,-6.57,;-13.54,-7.63,;-12.12,-7.24,;-11.11,-8.3,;-11.67,-5.65,;-16.55,-8.52,;-15.49,-9.57,;-13.98,-9.24,;-15.85,-11.11,;-17.39,-10.97,;-18.21,-12.1,;-17.78,-13.5,;-19.82,-11.88,;-14.6,-12.08,;-14.99,-13.5,;-16.53,-14.02,;-13.83,-14.46,;-12.36,-14.02,;-12.05,-12.49,;-10.61,-11.96,;-10.32,-10.46,;-8.8,-9.93,;-14.22,-16.07,;-13.06,-17.1,;-10.82,-17.1,;-13.98,-18.23,;-13.47,-19.68,;-12,-19.97,;-11.5,-21.39,;-9.96,-21.63,;-9.48,-23.04,;-15.49,-17.99,;-16.53,-19.05,;-17.95,-18.69,;-16.05,-20.47,;-14.6,-20.88,;-14.24,-22.35,;-12.82,-22.68,;-12.56,-24.18,;-11.67,-21.63,;-17.25,-21.58,;-16.91,-23.04,;-15.35,-23.93,;-18.16,-23.79,;-18.16,-25.07,;-19.39,-23.04,;-11.67,11.04,;-10.1,11.19,;-12.56,12.27,;-12.05,13.69,;-10.46,13.9,;-9.55,12.65,;-8.08,12.92,;-7.31,11.72,;-7.41,14.39,;-12.92,14.82,;-14.43,14.72,;-12.36,16.21,;-13.28,17.46,;-14.75,17.3,;-15.71,18.43,;-15.13,19.97,;-16.38,20.95,;-17.58,20.11,;-17.25,18.57,;-12.56,18.79,;-13.47,20.38,;-11.02,18.57,;-10.2,19.85,;-9.84,21.46,;-10.97,22.4,;-12.36,21.99,;-13.66,23.12,;-13.33,24.56,;-11.86,25.07,;-10.66,24.08,;-8.59,19.82,;-7.53,21.63,;-7.89,18.43,;-6.47,18.43,;-5.58,19.82,;-3.92,19.77,;-3.13,21.1,;-1.59,21.07,;-.75,22.35,;.77,22.16,;-1.4,23.79,;-5.58,17.1,;-6.35,15.71,;-4.09,16.98,;-2.77,16.36,;-2.69,14.79,;-1.59,14.02,;-.12,14.65,;1.03,13.5,;.24,12.1,;.65,10.61,;-.22,9.43,;-1.76,9.79,;-2.29,11.33,;-1.32,12.58,;-1.59,17.1,;-1.47,18.76,;-.36,16.21,;.91,16.77,;1.18,18.31,;-.12,19.15,;2.6,18.79,;3.8,17.8,;3.49,16.26,;4.62,15.35,;5.24,18.38,;5.36,19.85,;6.42,17.51,;6.42,16.07,;7.84,15.49,;8.73,16.89,;7.99,18.02,;8.47,19.53,;7.67,20.47,;9.79,20.04,;10.15,21.63,;11.76,21.65,;12.29,20.23,;11.26,19.29,;11.4,17.73,;10.68,16.5,;12.8,17.1,;12.87,15.56,;11.69,14.65,;11.81,13.04,;10.63,12.22,;10.75,10.68,;9.6,9.77,;14.34,14.96,;14.63,13.04,;15.37,16.19,;16.84,15.85,;17.32,14.39,;18.88,14.12,;19.82,15.3,;19.29,12.63,;17.87,16.98,;19.36,16.74,;17.32,18.43,)|
Show InChI InChI=1S/C118H174N34O35S/c1-63(122)97(167)135-77(36-39-93(159)160)105(175)137-71(23-8-11-42-119)100(170)136-72(24-9-12-43-120)102(172)147-84(55-95(163)164)111(181)140-76(35-38-92(157)158)98(168)132-60-91(156)150-47-16-28-87(150)112(182)148-81(52-65-31-33-68(154)34-32-65)109(179)138-74(26-14-45-128-117(123)124)101(171)142-79(41-50-188-2)107(177)141-78(37-40-94(161)162)106(176)146-83(54-67-58-127-62-133-67)110(180)144-80(51-64-19-4-3-5-20-64)108(178)139-75(27-15-46-129-118(125)126)103(173)145-82(53-66-57-130-70-22-7-6-21-69(66)70)99(169)131-59-90(155)134-86(61-153)114(184)152-49-18-30-89(152)115(185)151-48-17-29-88(151)113(183)143-73(25-10-13-44-121)104(174)149-85(116(186)187)56-96(165)166/h3-7,19-22,31-34,57-58,62-63,71-89,130,153-154H,8-18,23-30,35-56,59-61,119-122H2,1-2H3,(H,127,133)(H,131,169)(H,132,168)(H,134,155)(H,135,167)(H,136,170)(H,137,175)(H,138,179)(H,139,178)(H,140,181)(H,141,177)(H,142,171)(H,143,183)(H,144,180)(H,145,173)(H,146,176)(H,147,172)(H,148,182)(H,149,174)(H,157,158)(H,159,160)(H,161,162)(H,163,164)(H,165,166)(H,186,187)(H4,123,124,128)(H4,125,126,129)/t63-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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PC cid
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376n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Pharmacol Toxicol 79: 161-5 (1996)


Article DOI: 10.1111/j.1600-0773.1996.tb00261.x
BindingDB Entry DOI: 10.7270/Q26W98M7
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM82409
PNG
(Beta MSH | beta MSH, human)
Show SMILES CSCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(O)=O |wU:122.125,111.113,101.102,167.175,4.4,51.57,wD:133.136,151.156,160.167,92.93,171.178,180.187,8.15,19.28,31.31,42.49,59.66,68.75,77.84,86.89,(-17.08,12.08,;-16.31,10.8,;-14.72,10.87,;-13.83,9.69,;-12.36,9.77,;-11.38,8.47,;-12.05,7.07,;-13.66,6.93,;-11.16,5.8,;-9.57,5.94,;-8.95,7.46,;-7.38,7.6,;-6.78,9.07,;-5.24,9.24,;-4.69,10.8,;-4.31,8.11,;-11.74,4.38,;-10.9,3.13,;-9.36,3.61,;-11.64,1.8,;-10.75,.55,;-9.21,.58,;-8.3,-.7,;-6.71,-.5,;-6.09,.82,;-4.55,.91,;-7.02,2.04,;-8.52,1.97,;-13.13,1.68,;-13.83,.34,;-15.23,.7,;-12.97,-.99,;-11.52,-1.13,;-11.11,-2.53,;-12.44,-3.44,;-13.66,-2.38,;-15.08,-2.74,;-16.05,-1.73,;-15.44,-4.19,;-16.89,-4.55,;-17.3,-5.94,;-18.84,-6.35,;-16.14,-6.93,;-14.6,-6.57,;-13.54,-7.63,;-12.12,-7.24,;-11.11,-8.3,;-11.67,-5.65,;-16.55,-8.52,;-15.49,-9.57,;-13.98,-9.24,;-15.85,-11.11,;-17.39,-10.97,;-18.21,-12.1,;-17.78,-13.5,;-19.82,-11.88,;-14.6,-12.08,;-14.99,-13.5,;-16.53,-14.02,;-13.83,-14.46,;-12.36,-14.02,;-12.05,-12.49,;-10.61,-11.96,;-10.32,-10.46,;-8.8,-9.93,;-14.22,-16.07,;-13.06,-17.1,;-10.82,-17.1,;-13.98,-18.23,;-13.47,-19.68,;-12,-19.97,;-11.5,-21.39,;-9.96,-21.63,;-9.48,-23.04,;-15.49,-17.99,;-16.53,-19.05,;-17.95,-18.69,;-16.05,-20.47,;-14.6,-20.88,;-14.24,-22.35,;-12.82,-22.68,;-12.56,-24.18,;-11.67,-21.63,;-17.25,-21.58,;-16.91,-23.04,;-15.35,-23.93,;-18.16,-23.79,;-18.16,-25.07,;-19.39,-23.04,;-11.67,11.04,;-10.1,11.19,;-12.56,12.27,;-12.05,13.69,;-10.46,13.9,;-9.55,12.65,;-8.08,12.92,;-7.31,11.72,;-7.41,14.39,;-12.92,14.82,;-14.43,14.72,;-12.36,16.21,;-13.28,17.46,;-14.75,17.3,;-15.71,18.43,;-15.13,19.97,;-16.38,20.95,;-17.58,20.11,;-17.25,18.57,;-12.56,18.79,;-13.47,20.38,;-11.02,18.57,;-10.2,19.85,;-9.84,21.46,;-10.97,22.4,;-12.36,21.99,;-13.66,23.12,;-13.33,24.56,;-11.86,25.07,;-10.66,24.08,;-8.59,19.82,;-7.53,21.63,;-7.89,18.43,;-6.47,18.43,;-5.58,19.82,;-3.92,19.77,;-3.13,21.1,;-1.59,21.07,;-.75,22.35,;.77,22.16,;-1.4,23.79,;-5.58,17.1,;-6.35,15.71,;-4.09,16.98,;-2.77,16.36,;-2.69,14.79,;-1.59,14.02,;-.12,14.65,;1.03,13.5,;.24,12.1,;.65,10.61,;-.22,9.43,;-1.76,9.79,;-2.29,11.33,;-1.32,12.58,;-1.59,17.1,;-1.47,18.76,;-.36,16.21,;.91,16.77,;1.18,18.31,;-.12,19.15,;2.6,18.79,;3.8,17.8,;3.49,16.26,;4.62,15.35,;5.24,18.38,;5.36,19.85,;6.42,17.51,;6.42,16.07,;7.84,15.49,;8.73,16.89,;7.99,18.02,;8.47,19.53,;7.67,20.47,;9.79,20.04,;10.15,21.63,;11.76,21.65,;12.29,20.23,;11.26,19.29,;11.4,17.73,;10.68,16.5,;12.8,17.1,;12.87,15.56,;11.69,14.65,;11.81,13.04,;10.63,12.22,;10.75,10.68,;9.6,9.77,;14.34,14.96,;14.63,13.04,;15.37,16.19,;16.84,15.85,;17.32,14.39,;18.88,14.12,;19.82,15.3,;19.29,12.63,;17.87,16.98,;19.36,16.74,;17.32,18.43,)|
Show InChI InChI=1S/C118H174N34O35S/c1-63(122)97(167)135-77(36-39-93(159)160)105(175)137-71(23-8-11-42-119)100(170)136-72(24-9-12-43-120)102(172)147-84(55-95(163)164)111(181)140-76(35-38-92(157)158)98(168)132-60-91(156)150-47-16-28-87(150)112(182)148-81(52-65-31-33-68(154)34-32-65)109(179)138-74(26-14-45-128-117(123)124)101(171)142-79(41-50-188-2)107(177)141-78(37-40-94(161)162)106(176)146-83(54-67-58-127-62-133-67)110(180)144-80(51-64-19-4-3-5-20-64)108(178)139-75(27-15-46-129-118(125)126)103(173)145-82(53-66-57-130-70-22-7-6-21-69(66)70)99(169)131-59-90(155)134-86(61-153)114(184)152-49-18-30-89(152)115(185)151-48-17-29-88(151)113(183)143-73(25-10-13-44-121)104(174)149-85(116(186)187)56-96(165)166/h3-7,19-22,31-34,57-58,62-63,71-89,130,153-154H,8-18,23-30,35-56,59-61,119-122H2,1-2H3,(H,127,133)(H,131,169)(H,132,168)(H,134,155)(H,135,167)(H,136,170)(H,137,175)(H,138,179)(H,139,178)(H,140,181)(H,141,177)(H,142,171)(H,143,183)(H,144,180)(H,145,173)(H,146,176)(H,147,172)(H,148,182)(H,149,174)(H,157,158)(H,159,160)(H,161,162)(H,163,164)(H,165,166)(H,186,187)(H4,123,124,128)(H4,125,126,129)/t63-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-/m0/s1
UniProtKB/SwissProt

antibodypedia
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PC cid
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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Uppsala

Curated by PDSP Ki Database




Eur J Pharmacol 288: 311-7 (1995)


Article DOI: 10.1016/0922-4106(95)90043-8
BindingDB Entry DOI: 10.7270/Q2M32T8H
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM82409
PNG
(Beta MSH | beta MSH, human)
Show SMILES CSCC[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(O)=O)C(O)=O |wU:122.125,111.113,101.102,167.175,4.4,51.57,wD:133.136,151.156,160.167,92.93,171.178,180.187,8.15,19.28,31.31,42.49,59.66,68.75,77.84,86.89,(-17.08,12.08,;-16.31,10.8,;-14.72,10.87,;-13.83,9.69,;-12.36,9.77,;-11.38,8.47,;-12.05,7.07,;-13.66,6.93,;-11.16,5.8,;-9.57,5.94,;-8.95,7.46,;-7.38,7.6,;-6.78,9.07,;-5.24,9.24,;-4.69,10.8,;-4.31,8.11,;-11.74,4.38,;-10.9,3.13,;-9.36,3.61,;-11.64,1.8,;-10.75,.55,;-9.21,.58,;-8.3,-.7,;-6.71,-.5,;-6.09,.82,;-4.55,.91,;-7.02,2.04,;-8.52,1.97,;-13.13,1.68,;-13.83,.34,;-15.23,.7,;-12.97,-.99,;-11.52,-1.13,;-11.11,-2.53,;-12.44,-3.44,;-13.66,-2.38,;-15.08,-2.74,;-16.05,-1.73,;-15.44,-4.19,;-16.89,-4.55,;-17.3,-5.94,;-18.84,-6.35,;-16.14,-6.93,;-14.6,-6.57,;-13.54,-7.63,;-12.12,-7.24,;-11.11,-8.3,;-11.67,-5.65,;-16.55,-8.52,;-15.49,-9.57,;-13.98,-9.24,;-15.85,-11.11,;-17.39,-10.97,;-18.21,-12.1,;-17.78,-13.5,;-19.82,-11.88,;-14.6,-12.08,;-14.99,-13.5,;-16.53,-14.02,;-13.83,-14.46,;-12.36,-14.02,;-12.05,-12.49,;-10.61,-11.96,;-10.32,-10.46,;-8.8,-9.93,;-14.22,-16.07,;-13.06,-17.1,;-10.82,-17.1,;-13.98,-18.23,;-13.47,-19.68,;-12,-19.97,;-11.5,-21.39,;-9.96,-21.63,;-9.48,-23.04,;-15.49,-17.99,;-16.53,-19.05,;-17.95,-18.69,;-16.05,-20.47,;-14.6,-20.88,;-14.24,-22.35,;-12.82,-22.68,;-12.56,-24.18,;-11.67,-21.63,;-17.25,-21.58,;-16.91,-23.04,;-15.35,-23.93,;-18.16,-23.79,;-18.16,-25.07,;-19.39,-23.04,;-11.67,11.04,;-10.1,11.19,;-12.56,12.27,;-12.05,13.69,;-10.46,13.9,;-9.55,12.65,;-8.08,12.92,;-7.31,11.72,;-7.41,14.39,;-12.92,14.82,;-14.43,14.72,;-12.36,16.21,;-13.28,17.46,;-14.75,17.3,;-15.71,18.43,;-15.13,19.97,;-16.38,20.95,;-17.58,20.11,;-17.25,18.57,;-12.56,18.79,;-13.47,20.38,;-11.02,18.57,;-10.2,19.85,;-9.84,21.46,;-10.97,22.4,;-12.36,21.99,;-13.66,23.12,;-13.33,24.56,;-11.86,25.07,;-10.66,24.08,;-8.59,19.82,;-7.53,21.63,;-7.89,18.43,;-6.47,18.43,;-5.58,19.82,;-3.92,19.77,;-3.13,21.1,;-1.59,21.07,;-.75,22.35,;.77,22.16,;-1.4,23.79,;-5.58,17.1,;-6.35,15.71,;-4.09,16.98,;-2.77,16.36,;-2.69,14.79,;-1.59,14.02,;-.12,14.65,;1.03,13.5,;.24,12.1,;.65,10.61,;-.22,9.43,;-1.76,9.79,;-2.29,11.33,;-1.32,12.58,;-1.59,17.1,;-1.47,18.76,;-.36,16.21,;.91,16.77,;1.18,18.31,;-.12,19.15,;2.6,18.79,;3.8,17.8,;3.49,16.26,;4.62,15.35,;5.24,18.38,;5.36,19.85,;6.42,17.51,;6.42,16.07,;7.84,15.49,;8.73,16.89,;7.99,18.02,;8.47,19.53,;7.67,20.47,;9.79,20.04,;10.15,21.63,;11.76,21.65,;12.29,20.23,;11.26,19.29,;11.4,17.73,;10.68,16.5,;12.8,17.1,;12.87,15.56,;11.69,14.65,;11.81,13.04,;10.63,12.22,;10.75,10.68,;9.6,9.77,;14.34,14.96,;14.63,13.04,;15.37,16.19,;16.84,15.85,;17.32,14.39,;18.88,14.12,;19.82,15.3,;19.29,12.63,;17.87,16.98,;19.36,16.74,;17.32,18.43,)|
Show InChI InChI=1S/C118H174N34O35S/c1-63(122)97(167)135-77(36-39-93(159)160)105(175)137-71(23-8-11-42-119)100(170)136-72(24-9-12-43-120)102(172)147-84(55-95(163)164)111(181)140-76(35-38-92(157)158)98(168)132-60-91(156)150-47-16-28-87(150)112(182)148-81(52-65-31-33-68(154)34-32-65)109(179)138-74(26-14-45-128-117(123)124)101(171)142-79(41-50-188-2)107(177)141-78(37-40-94(161)162)106(176)146-83(54-67-58-127-62-133-67)110(180)144-80(51-64-19-4-3-5-20-64)108(178)139-75(27-15-46-129-118(125)126)103(173)145-82(53-66-57-130-70-22-7-6-21-69(66)70)99(169)131-59-90(155)134-86(61-153)114(184)152-49-18-30-89(152)115(185)151-48-17-29-88(151)113(183)143-73(25-10-13-44-121)104(174)149-85(116(186)187)56-96(165)166/h3-7,19-22,31-34,57-58,62-63,71-89,130,153-154H,8-18,23-30,35-56,59-61,119-122H2,1-2H3,(H,127,133)(H,131,169)(H,132,168)(H,134,155)(H,135,167)(H,136,170)(H,137,175)(H,138,179)(H,139,178)(H,140,181)(H,141,177)(H,142,171)(H,143,183)(H,144,180)(H,145,173)(H,146,176)(H,147,172)(H,148,182)(H,149,174)(H,157,158)(H,159,160)(H,161,162)(H,163,164)(H,165,166)(H,186,187)(H4,123,124,128)(H4,125,126,129)/t63-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Uppsala University

Curated by PDSP Ki Database




Pharmacol Toxicol 79: 161-5 (1996)


Article DOI: 10.1111/j.1600-0773.1996.tb00261.x
BindingDB Entry DOI: 10.7270/Q26W98M7
More data for this
Ligand-Target Pair