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PubMed code 12842269

Compile data set for download or QSAR
Found 16 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Nociceptin receptor


(RAT)
BDBM21842
PNG
((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O
Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
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0.380n/an/an/an/an/an/an/an/a



University of Michigan

Curated by PDSP Ki Database




J Chem Neuroanat 25: 233-47 (2003)


Article DOI: 10.1016/s0891-0618(03)00032-2
BindingDB Entry DOI: 10.7270/Q2XP73G2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM50045114
PNG
(3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,...)
Show SMILES CCC12CCN(CC3CC3)C(C1C)C(=O)c1ccc(O)cc21 |TLB:6:5:11:15.21.13,14:13:11:5.4.3,THB:20:21:11:5.4.3|
Show InChI InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3
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1.93n/an/an/an/an/an/an/an/a



University of Michigan

Curated by PDSP Ki Database




J Chem Neuroanat 25: 233-47 (2003)


Article DOI: 10.1016/s0891-0618(03)00032-2
BindingDB Entry DOI: 10.7270/Q2XP73G2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM50045114
PNG
(3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,...)
Show SMILES CCC12CCN(CC3CC3)C(C1C)C(=O)c1ccc(O)cc21 |TLB:6:5:11:15.21.13,14:13:11:5.4.3,THB:20:21:11:5.4.3|
Show InChI InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3
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2.12n/an/an/an/an/an/an/an/a



University of Michigan

Curated by PDSP Ki Database




J Chem Neuroanat 25: 233-47 (2003)


Article DOI: 10.1016/s0891-0618(03)00032-2
BindingDB Entry DOI: 10.7270/Q2XP73G2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50045114
PNG
(3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,...)
Show SMILES CCC12CCN(CC3CC3)C(C1C)C(=O)c1ccc(O)cc21 |TLB:6:5:11:15.21.13,14:13:11:5.4.3,THB:20:21:11:5.4.3|
Show InChI InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3
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2.46n/an/an/an/an/an/an/an/a



University of Michigan

Curated by PDSP Ki Database




J Chem Neuroanat 25: 233-47 (2003)


Article DOI: 10.1016/s0891-0618(03)00032-2
BindingDB Entry DOI: 10.7270/Q2XP73G2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM86253
PNG
(CAS_100929-53-1 | DAMGO | NSC_104742 | US10836728,...)
Show SMILES CC(NC(=O)C(N)Cc1ccc(O)cc1)C(=O)NCC(=O)N(C)C(Cc1ccccc1)C(=O)NCCO
Show InChI InChI=1S/C26H35N5O6/c1-17(30-25(36)21(27)14-19-8-10-20(33)11-9-19)24(35)29-16-23(34)31(2)22(26(37)28-12-13-32)15-18-6-4-3-5-7-18/h3-11,17,21-22,32-33H,12-16,27H2,1-2H3,(H,28,37)(H,29,35)(H,30,36)
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PubMed
32n/an/an/an/an/an/an/an/a



University of Michigan

Curated by PDSP Ki Database




J Chem Neuroanat 25: 233-47 (2003)


Article DOI: 10.1016/s0891-0618(03)00032-2
BindingDB Entry DOI: 10.7270/Q2XP73G2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM86254
PNG
(OFQ II 1-17)
Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O
Show InChI InChI=1S/C92H141N23O28S2/c1-47(2)38-62(82(133)113-67(44-117)87(138)105-60(34-37-145-8)81(132)102-57(26-30-71(95)122)79(130)112-69(46-119)89(140)114-68(45-118)88(139)106-61(91(142)143)27-31-72(96)123)110-90(141)74(49(5)6)115-85(136)63(39-48(3)4)107-84(135)65(42-52-21-23-53(120)24-22-52)109-77(128)56(25-29-70(94)121)101-76(127)55(20-15-35-99-92(97)98)100-80(131)59(33-36-144-7)104-83(134)64(41-51-18-13-10-14-19-51)108-78(129)58(28-32-73(124)125)103-86(137)66(43-116)111-75(126)54(93)40-50-16-11-9-12-17-50/h9-14,16-19,21-24,47-49,54-69,74,116-120H,15,20,25-46,93H2,1-8H3,(H2,94,121)(H2,95,122)(H2,96,123)(H,100,131)(H,101,127)(H,102,132)(H,103,137)(H,104,134)(H,105,138)(H,106,139)(H,107,135)(H,108,129)(H,109,128)(H,110,141)(H,111,126)(H,112,130)(H,113,133)(H,114,140)(H,115,136)(H,124,125)(H,142,143)(H4,97,98,99)/t54?,55-,56-,57-,58+,59+,60-,61-,62-,63-,64+,65-,66-,67-,68-,69-,74-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by PDSP Ki Database




J Chem Neuroanat 25: 233-47 (2003)


Article DOI: 10.1016/s0891-0618(03)00032-2
BindingDB Entry DOI: 10.7270/Q2XP73G2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM86254
PNG
(OFQ II 1-17)
Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O
Show InChI InChI=1S/C92H141N23O28S2/c1-47(2)38-62(82(133)113-67(44-117)87(138)105-60(34-37-145-8)81(132)102-57(26-30-71(95)122)79(130)112-69(46-119)89(140)114-68(45-118)88(139)106-61(91(142)143)27-31-72(96)123)110-90(141)74(49(5)6)115-85(136)63(39-48(3)4)107-84(135)65(42-52-21-23-53(120)24-22-52)109-77(128)56(25-29-70(94)121)101-76(127)55(20-15-35-99-92(97)98)100-80(131)59(33-36-144-7)104-83(134)64(41-51-18-13-10-14-19-51)108-78(129)58(28-32-73(124)125)103-86(137)66(43-116)111-75(126)54(93)40-50-16-11-9-12-17-50/h9-14,16-19,21-24,47-49,54-69,74,116-120H,15,20,25-46,93H2,1-8H3,(H2,94,121)(H2,95,122)(H2,96,123)(H,100,131)(H,101,127)(H,102,132)(H,103,137)(H,104,134)(H,105,138)(H,106,139)(H,107,135)(H,108,129)(H,109,128)(H,110,141)(H,111,126)(H,112,130)(H,113,133)(H,114,140)(H,115,136)(H,124,125)(H,142,143)(H4,97,98,99)/t54?,55-,56-,57-,58+,59+,60-,61-,62-,63-,64+,65-,66-,67-,68-,69-,74-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by PDSP Ki Database




J Chem Neuroanat 25: 233-47 (2003)


Article DOI: 10.1016/s0891-0618(03)00032-2
BindingDB Entry DOI: 10.7270/Q2XP73G2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM21842
PNG
((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O
Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by PDSP Ki Database




J Chem Neuroanat 25: 233-47 (2003)


Article DOI: 10.1016/s0891-0618(03)00032-2
BindingDB Entry DOI: 10.7270/Q2XP73G2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM21842
PNG
((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O
Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by PDSP Ki Database




J Chem Neuroanat 25: 233-47 (2003)


Article DOI: 10.1016/s0891-0618(03)00032-2
BindingDB Entry DOI: 10.7270/Q2XP73G2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM86252
PNG
(CAS_0 | NSC_0 | OFQ II 1-28)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CO)C(=O)N[C@H](CO)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](C(C)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)NCC(=O)N[C@H](CC(N)=O)C(=O)N[C@H](C(C)C)C(N)=O |wU:55.63,74.83,85.92,34.43,94.98,22.22,8.10,115.117,130.132,145.147,167.169,185.187,203.206,232.235,wD:66.71,46.52,26.30,100.102,14.18,4.4,124.126,136.138,156.158,178.180,193.195,212.215,224.227,(21.05,-3.66,;22.39,-2.89,;22.39,-1.35,;23.72,-.58,;23.72,.96,;25.06,1.73,;26.39,.96,;26.39,-.58,;27.73,1.73,;27.73,3.27,;29.06,4.04,;29.06,.96,;30.4,1.73,;30.4,3.27,;31.73,.96,;31.73,-.58,;30.4,-1.35,;29.06,-.58,;30.4,-2.89,;33.07,1.73,;34.4,.96,;34.4,-.58,;35.74,1.73,;37.07,.96,;38.41,1.73,;38.41,3.27,;39.74,.96,;39.74,-.58,;38.41,-1.35,;37.07,-.58,;38.41,-2.89,;41.08,1.73,;42.41,.96,;42.41,-.58,;43.75,1.73,;43.75,3.27,;42.41,4.04,;42.41,5.58,;41.08,6.35,;39.74,5.58,;38.41,6.35,;39.74,4.04,;41.08,3.27,;45.08,.96,;46.42,1.73,;46.42,3.27,;47.75,.96,;47.75,-.58,;46.42,-1.35,;46.42,-2.89,;45.08,-3.66,;47.75,-3.66,;49.09,1.73,;50.42,.96,;50.42,-.58,;51.76,1.73,;51.76,3.27,;53.09,4.04,;53.09,5.58,;54.42,6.35,;54.42,7.89,;53.33,8.97,;55.76,8.66,;53.09,.96,;54.43,1.73,;54.43,3.27,;55.76,.96,;57.1,1.73,;58.43,.96,;59.76,1.73,;61.1,.96,;54.99,-.38,;55.76,-1.71,;57.3,-1.71,;54.99,-3.05,;54,-4.23,;54.53,-5.67,;53.54,-6.85,;54.07,-8.3,;55.59,-8.57,;56.58,-7.38,;56.05,-5.94,;56.17,-4.03,;57.69,-3.76,;58.21,-2.31,;58.68,-4.94,;58.28,-6.42,;59.37,-7.51,;58.97,-9,;60.31,-9.77,;57.49,-9.4,;60.2,-4.66,;61.19,-5.84,;60.67,-7.29,;62.71,-5.57,;63.11,-4.08,;64.59,-3.68,;63.7,-6.74,;65.22,-6.47,;65.74,-5.02,;66.21,-7.65,;67.39,-6.65,;67.21,-8.82,;68.72,-8.55,;69.71,-9.73,;71.23,-9.45,;71.75,-8.01,;70.76,-6.83,;69.24,-7.1,;35.74,3.27,;34.4,4.04,;37.07,4.04,;22.39,1.73,;22.39,3.27,;21.05,.96,;19.72,1.73,;19.72,3.27,;21.05,4.04,;21.05,5.58,;22.38,6.35,;19.72,6.35,;18.38,.96,;18.38,-.58,;17.05,1.73,;15.71,.96,;15.71,-.58,;17.04,-1.35,;14.38,1.73,;14.38,3.27,;13.04,.96,;11.71,1.73,;11.71,3.27,;13.04,4.04,;10.37,.96,;10.37,-.58,;9.04,1.73,;7.7,.96,;7.7,-.58,;6.37,-1.35,;6.37,-2.89,;5.03,-3.66,;7.7,-3.66,;6.36,1.73,;6.36,3.27,;5.03,.96,;3.7,1.73,;3.7,3.27,;5.03,4.04,;5.03,5.58,;6.36,6.35,;6.36,7.89,;7.7,8.66,;5.03,8.66,;2.36,.96,;2.36,-.58,;1.03,1.73,;-.31,.96,;-.31,-.58,;-1.64,-1.35,;-1.64,-2.89,;-2.98,-3.66,;-2.98,-5.2,;-1.64,-5.97,;-4.31,-5.97,;-1.64,1.73,;-1.64,3.27,;-2.98,.96,;-4.31,1.73,;-4.31,3.27,;-2.98,4.04,;-2.98,5.58,;-1.65,6.35,;-1.65,7.89,;-.31,8.66,;-2.98,8.66,;-5.65,.96,;-5.65,-.58,;-6.98,1.73,;-8.32,.96,;-8.32,-.58,;-9.65,-1.35,;-6.99,-1.35,;-9.65,1.73,;-9.65,3.27,;-10.99,.96,;-12.32,1.73,;-12.32,3.27,;-13.66,4.04,;-14.99,3.27,;-13.66,5.58,;-13.66,.96,;-13.66,-.58,;-14.99,1.73,;-16.33,.96,;-16.33,-.58,;-17.66,-1.35,;-17.74,-2.89,;-19.23,-3.29,;-20.07,-2,;-19.1,-.8,;-17.66,1.73,;-17.66,3.27,;-19,.96,;-20.33,1.73,;-20.33,3.27,;-19,4.04,;-19,5.58,;-17.67,6.35,;-20.33,6.35,;-21.67,.96,;-21.67,-.58,;-23,1.73,;-24.34,.96,;-24.34,-.58,;-25.67,-1.35,;-25.67,-2.89,;-27.01,-.58,;-25.67,1.73,;-25.67,3.27,;-27.01,.96,;-28.34,1.73,;-29.68,.96,;-29.68,-.58,;-31.01,1.73,;-32.35,.96,;-32.35,-.58,;-33.68,-1.35,;-35.02,-.58,;-33.68,-2.89,;-33.68,1.73,;-33.68,3.27,;-35.02,.96,;-36.35,1.73,;-36.35,3.27,;-35.02,4.04,;-37.69,4.04,;-37.69,.96,;-39.02,1.73,;-37.69,-.58,)|
Show InChI InChI=1S/C146H235N49O42S2/c1-70(2)54-93(130(225)185-98(60-79-63-163-69-169-79)134(229)177-88(38-43-107(150)204)124(219)186-99(61-109(152)206)118(213)168-64-111(208)170-100(62-110(153)207)136(231)193-113(73(7)8)116(154)211)188-142(237)115(75(11)200)195-129(224)85(31-23-51-167-146(161)162)174-120(215)82(28-20-48-164-143(155)156)171-119(214)83(29-21-49-165-144(157)158)172-122(217)86(36-41-105(148)202)178-138(233)103(67-198)192-140(235)104(68-199)190-126(221)89(39-44-108(151)205)176-128(223)92(47-53-239-13)181-139(234)102(66-197)191-131(226)94(55-71(3)4)187-141(236)114(74(9)10)194-135(230)95(56-72(5)6)182-133(228)97(59-78-32-34-80(201)35-33-78)184-123(218)87(37-42-106(149)203)175-121(216)84(30-22-50-166-145(159)160)173-127(222)91(46-52-238-12)180-132(227)96(58-77-26-18-15-19-27-77)183-125(220)90(40-45-112(209)210)179-137(232)101(65-196)189-117(212)81(147)57-76-24-16-14-17-25-76/h14-19,24-27,32-35,63,69-75,81-104,113-115,196-201H,20-23,28-31,36-62,64-68,147H2,1-13H3,(H2,148,202)(H2,149,203)(H2,150,204)(H2,151,205)(H2,152,206)(H2,153,207)(H2,154,211)(H,163,169)(H,168,213)(H,170,208)(H,171,214)(H,172,217)(H,173,222)(H,174,215)(H,175,216)(H,176,223)(H,177,229)(H,178,233)(H,179,232)(H,180,227)(H,181,234)(H,182,228)(H,183,220)(H,184,218)(H,185,225)(H,186,219)(H,187,236)(H,188,237)(H,189,212)(H,190,221)(H,191,226)(H,192,235)(H,193,231)(H,194,230)(H,195,224)(H,209,210)(H4,155,156,164)(H4,157,158,165)(H4,159,160,166)(H4,161,162,167)/t75?,81-,82+,83+,84+,85+,86+,87+,88+,89+,90-,91-,92+,93+,94+,95+,96-,97+,98+,99+,100+,101+,102+,103+,104+,113+,114+,115+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by PDSP Ki Database




J Chem Neuroanat 25: 233-47 (2003)


Article DOI: 10.1016/s0891-0618(03)00032-2
BindingDB Entry DOI: 10.7270/Q2XP73G2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM21842
PNG
((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2...)
Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O
Show InChI InChI=1S/C79H129N27O22/c1-41(2)33-54(72(122)95-44(5)66(116)103-56(36-59(84)110)73(123)102-53(77(127)128)27-28-58(83)109)104-70(120)49(23-13-15-29-80)100-69(119)52(26-18-32-90-79(87)88)99-65(115)43(4)96-75(125)57(40-107)105-71(121)50(24-14-16-30-81)101-68(118)51(25-17-31-89-78(85)86)98-64(114)42(3)94-61(112)39-93-76(126)63(45(6)108)106-74(124)55(35-47-21-11-8-12-22-47)97-62(113)38-91-60(111)37-92-67(117)48(82)34-46-19-9-7-10-20-46/h7-12,19-22,41-45,48-57,63,107-108H,13-18,23-40,80-82H2,1-6H3,(H2,83,109)(H2,84,110)(H,91,111)(H,92,117)(H,93,126)(H,94,112)(H,95,122)(H,96,125)(H,97,113)(H,98,114)(H,99,115)(H,100,119)(H,101,118)(H,102,123)(H,103,116)(H,104,120)(H,105,121)(H,106,124)(H,127,128)(H4,85,86,89)(H4,87,88,90)/t42-,43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by PDSP Ki Database




J Chem Neuroanat 25: 233-47 (2003)


Article DOI: 10.1016/s0891-0618(03)00032-2
BindingDB Entry DOI: 10.7270/Q2XP73G2
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM86252
PNG
(CAS_0 | NSC_0 | OFQ II 1-28)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CO)C(=O)N[C@H](CO)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](C(C)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)NCC(=O)N[C@H](CC(N)=O)C(=O)N[C@H](C(C)C)C(N)=O |wU:55.63,74.83,85.92,34.43,94.98,22.22,8.10,115.117,130.132,145.147,167.169,185.187,203.206,232.235,wD:66.71,46.52,26.30,100.102,14.18,4.4,124.126,136.138,156.158,178.180,193.195,212.215,224.227,(21.05,-3.66,;22.39,-2.89,;22.39,-1.35,;23.72,-.58,;23.72,.96,;25.06,1.73,;26.39,.96,;26.39,-.58,;27.73,1.73,;27.73,3.27,;29.06,4.04,;29.06,.96,;30.4,1.73,;30.4,3.27,;31.73,.96,;31.73,-.58,;30.4,-1.35,;29.06,-.58,;30.4,-2.89,;33.07,1.73,;34.4,.96,;34.4,-.58,;35.74,1.73,;37.07,.96,;38.41,1.73,;38.41,3.27,;39.74,.96,;39.74,-.58,;38.41,-1.35,;37.07,-.58,;38.41,-2.89,;41.08,1.73,;42.41,.96,;42.41,-.58,;43.75,1.73,;43.75,3.27,;42.41,4.04,;42.41,5.58,;41.08,6.35,;39.74,5.58,;38.41,6.35,;39.74,4.04,;41.08,3.27,;45.08,.96,;46.42,1.73,;46.42,3.27,;47.75,.96,;47.75,-.58,;46.42,-1.35,;46.42,-2.89,;45.08,-3.66,;47.75,-3.66,;49.09,1.73,;50.42,.96,;50.42,-.58,;51.76,1.73,;51.76,3.27,;53.09,4.04,;53.09,5.58,;54.42,6.35,;54.42,7.89,;53.33,8.97,;55.76,8.66,;53.09,.96,;54.43,1.73,;54.43,3.27,;55.76,.96,;57.1,1.73,;58.43,.96,;59.76,1.73,;61.1,.96,;54.99,-.38,;55.76,-1.71,;57.3,-1.71,;54.99,-3.05,;54,-4.23,;54.53,-5.67,;53.54,-6.85,;54.07,-8.3,;55.59,-8.57,;56.58,-7.38,;56.05,-5.94,;56.17,-4.03,;57.69,-3.76,;58.21,-2.31,;58.68,-4.94,;58.28,-6.42,;59.37,-7.51,;58.97,-9,;60.31,-9.77,;57.49,-9.4,;60.2,-4.66,;61.19,-5.84,;60.67,-7.29,;62.71,-5.57,;63.11,-4.08,;64.59,-3.68,;63.7,-6.74,;65.22,-6.47,;65.74,-5.02,;66.21,-7.65,;67.39,-6.65,;67.21,-8.82,;68.72,-8.55,;69.71,-9.73,;71.23,-9.45,;71.75,-8.01,;70.76,-6.83,;69.24,-7.1,;35.74,3.27,;34.4,4.04,;37.07,4.04,;22.39,1.73,;22.39,3.27,;21.05,.96,;19.72,1.73,;19.72,3.27,;21.05,4.04,;21.05,5.58,;22.38,6.35,;19.72,6.35,;18.38,.96,;18.38,-.58,;17.05,1.73,;15.71,.96,;15.71,-.58,;17.04,-1.35,;14.38,1.73,;14.38,3.27,;13.04,.96,;11.71,1.73,;11.71,3.27,;13.04,4.04,;10.37,.96,;10.37,-.58,;9.04,1.73,;7.7,.96,;7.7,-.58,;6.37,-1.35,;6.37,-2.89,;5.03,-3.66,;7.7,-3.66,;6.36,1.73,;6.36,3.27,;5.03,.96,;3.7,1.73,;3.7,3.27,;5.03,4.04,;5.03,5.58,;6.36,6.35,;6.36,7.89,;7.7,8.66,;5.03,8.66,;2.36,.96,;2.36,-.58,;1.03,1.73,;-.31,.96,;-.31,-.58,;-1.64,-1.35,;-1.64,-2.89,;-2.98,-3.66,;-2.98,-5.2,;-1.64,-5.97,;-4.31,-5.97,;-1.64,1.73,;-1.64,3.27,;-2.98,.96,;-4.31,1.73,;-4.31,3.27,;-2.98,4.04,;-2.98,5.58,;-1.65,6.35,;-1.65,7.89,;-.31,8.66,;-2.98,8.66,;-5.65,.96,;-5.65,-.58,;-6.98,1.73,;-8.32,.96,;-8.32,-.58,;-9.65,-1.35,;-6.99,-1.35,;-9.65,1.73,;-9.65,3.27,;-10.99,.96,;-12.32,1.73,;-12.32,3.27,;-13.66,4.04,;-14.99,3.27,;-13.66,5.58,;-13.66,.96,;-13.66,-.58,;-14.99,1.73,;-16.33,.96,;-16.33,-.58,;-17.66,-1.35,;-17.74,-2.89,;-19.23,-3.29,;-20.07,-2,;-19.1,-.8,;-17.66,1.73,;-17.66,3.27,;-19,.96,;-20.33,1.73,;-20.33,3.27,;-19,4.04,;-19,5.58,;-17.67,6.35,;-20.33,6.35,;-21.67,.96,;-21.67,-.58,;-23,1.73,;-24.34,.96,;-24.34,-.58,;-25.67,-1.35,;-25.67,-2.89,;-27.01,-.58,;-25.67,1.73,;-25.67,3.27,;-27.01,.96,;-28.34,1.73,;-29.68,.96,;-29.68,-.58,;-31.01,1.73,;-32.35,.96,;-32.35,-.58,;-33.68,-1.35,;-35.02,-.58,;-33.68,-2.89,;-33.68,1.73,;-33.68,3.27,;-35.02,.96,;-36.35,1.73,;-36.35,3.27,;-35.02,4.04,;-37.69,4.04,;-37.69,.96,;-39.02,1.73,;-37.69,-.58,)|
Show InChI InChI=1S/C146H235N49O42S2/c1-70(2)54-93(130(225)185-98(60-79-63-163-69-169-79)134(229)177-88(38-43-107(150)204)124(219)186-99(61-109(152)206)118(213)168-64-111(208)170-100(62-110(153)207)136(231)193-113(73(7)8)116(154)211)188-142(237)115(75(11)200)195-129(224)85(31-23-51-167-146(161)162)174-120(215)82(28-20-48-164-143(155)156)171-119(214)83(29-21-49-165-144(157)158)172-122(217)86(36-41-105(148)202)178-138(233)103(67-198)192-140(235)104(68-199)190-126(221)89(39-44-108(151)205)176-128(223)92(47-53-239-13)181-139(234)102(66-197)191-131(226)94(55-71(3)4)187-141(236)114(74(9)10)194-135(230)95(56-72(5)6)182-133(228)97(59-78-32-34-80(201)35-33-78)184-123(218)87(37-42-106(149)203)175-121(216)84(30-22-50-166-145(159)160)173-127(222)91(46-52-238-12)180-132(227)96(58-77-26-18-15-19-27-77)183-125(220)90(40-45-112(209)210)179-137(232)101(65-196)189-117(212)81(147)57-76-24-16-14-17-25-76/h14-19,24-27,32-35,63,69-75,81-104,113-115,196-201H,20-23,28-31,36-62,64-68,147H2,1-13H3,(H2,148,202)(H2,149,203)(H2,150,204)(H2,151,205)(H2,152,206)(H2,153,207)(H2,154,211)(H,163,169)(H,168,213)(H,170,208)(H,171,214)(H,172,217)(H,173,222)(H,174,215)(H,175,216)(H,176,223)(H,177,229)(H,178,233)(H,179,232)(H,180,227)(H,181,234)(H,182,228)(H,183,220)(H,184,218)(H,185,225)(H,186,219)(H,187,236)(H,188,237)(H,189,212)(H,190,221)(H,191,226)(H,192,235)(H,193,231)(H,194,230)(H,195,224)(H,209,210)(H4,155,156,164)(H4,157,158,165)(H4,159,160,166)(H4,161,162,167)/t75?,81-,82+,83+,84+,85+,86+,87+,88+,89+,90-,91-,92+,93+,94+,95+,96-,97+,98+,99+,100+,101+,102+,103+,104+,113+,114+,115+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by PDSP Ki Database




J Chem Neuroanat 25: 233-47 (2003)


Article DOI: 10.1016/s0891-0618(03)00032-2
BindingDB Entry DOI: 10.7270/Q2XP73G2
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Rattus norvegicus (rat))
BDBM86254
PNG
(OFQ II 1-17)
Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O
Show InChI InChI=1S/C92H141N23O28S2/c1-47(2)38-62(82(133)113-67(44-117)87(138)105-60(34-37-145-8)81(132)102-57(26-30-71(95)122)79(130)112-69(46-119)89(140)114-68(45-118)88(139)106-61(91(142)143)27-31-72(96)123)110-90(141)74(49(5)6)115-85(136)63(39-48(3)4)107-84(135)65(42-52-21-23-53(120)24-22-52)109-77(128)56(25-29-70(94)121)101-76(127)55(20-15-35-99-92(97)98)100-80(131)59(33-36-144-7)104-83(134)64(41-51-18-13-10-14-19-51)108-78(129)58(28-32-73(124)125)103-86(137)66(43-116)111-75(126)54(93)40-50-16-11-9-12-17-50/h9-14,16-19,21-24,47-49,54-69,74,116-120H,15,20,25-46,93H2,1-8H3,(H2,94,121)(H2,95,122)(H2,96,123)(H,100,131)(H,101,127)(H,102,132)(H,103,137)(H,104,134)(H,105,138)(H,106,139)(H,107,135)(H,108,129)(H,109,128)(H,110,141)(H,111,126)(H,112,130)(H,113,133)(H,114,140)(H,115,136)(H,124,125)(H,142,143)(H4,97,98,99)/t54?,55-,56-,57-,58+,59+,60-,61-,62-,63-,64+,65-,66-,67-,68-,69-,74-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by PDSP Ki Database




J Chem Neuroanat 25: 233-47 (2003)


Article DOI: 10.1016/s0891-0618(03)00032-2
BindingDB Entry DOI: 10.7270/Q2XP73G2
More data for this
Ligand-Target Pair
Nociceptin receptor


(RAT)
BDBM86252
PNG
(CAS_0 | NSC_0 | OFQ II 1-28)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CO)C(=O)N[C@H](CO)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](C(C)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)NCC(=O)N[C@H](CC(N)=O)C(=O)N[C@H](C(C)C)C(N)=O |wU:55.63,74.83,85.92,34.43,94.98,22.22,8.10,115.117,130.132,145.147,167.169,185.187,203.206,232.235,wD:66.71,46.52,26.30,100.102,14.18,4.4,124.126,136.138,156.158,178.180,193.195,212.215,224.227,(21.05,-3.66,;22.39,-2.89,;22.39,-1.35,;23.72,-.58,;23.72,.96,;25.06,1.73,;26.39,.96,;26.39,-.58,;27.73,1.73,;27.73,3.27,;29.06,4.04,;29.06,.96,;30.4,1.73,;30.4,3.27,;31.73,.96,;31.73,-.58,;30.4,-1.35,;29.06,-.58,;30.4,-2.89,;33.07,1.73,;34.4,.96,;34.4,-.58,;35.74,1.73,;37.07,.96,;38.41,1.73,;38.41,3.27,;39.74,.96,;39.74,-.58,;38.41,-1.35,;37.07,-.58,;38.41,-2.89,;41.08,1.73,;42.41,.96,;42.41,-.58,;43.75,1.73,;43.75,3.27,;42.41,4.04,;42.41,5.58,;41.08,6.35,;39.74,5.58,;38.41,6.35,;39.74,4.04,;41.08,3.27,;45.08,.96,;46.42,1.73,;46.42,3.27,;47.75,.96,;47.75,-.58,;46.42,-1.35,;46.42,-2.89,;45.08,-3.66,;47.75,-3.66,;49.09,1.73,;50.42,.96,;50.42,-.58,;51.76,1.73,;51.76,3.27,;53.09,4.04,;53.09,5.58,;54.42,6.35,;54.42,7.89,;53.33,8.97,;55.76,8.66,;53.09,.96,;54.43,1.73,;54.43,3.27,;55.76,.96,;57.1,1.73,;58.43,.96,;59.76,1.73,;61.1,.96,;54.99,-.38,;55.76,-1.71,;57.3,-1.71,;54.99,-3.05,;54,-4.23,;54.53,-5.67,;53.54,-6.85,;54.07,-8.3,;55.59,-8.57,;56.58,-7.38,;56.05,-5.94,;56.17,-4.03,;57.69,-3.76,;58.21,-2.31,;58.68,-4.94,;58.28,-6.42,;59.37,-7.51,;58.97,-9,;60.31,-9.77,;57.49,-9.4,;60.2,-4.66,;61.19,-5.84,;60.67,-7.29,;62.71,-5.57,;63.11,-4.08,;64.59,-3.68,;63.7,-6.74,;65.22,-6.47,;65.74,-5.02,;66.21,-7.65,;67.39,-6.65,;67.21,-8.82,;68.72,-8.55,;69.71,-9.73,;71.23,-9.45,;71.75,-8.01,;70.76,-6.83,;69.24,-7.1,;35.74,3.27,;34.4,4.04,;37.07,4.04,;22.39,1.73,;22.39,3.27,;21.05,.96,;19.72,1.73,;19.72,3.27,;21.05,4.04,;21.05,5.58,;22.38,6.35,;19.72,6.35,;18.38,.96,;18.38,-.58,;17.05,1.73,;15.71,.96,;15.71,-.58,;17.04,-1.35,;14.38,1.73,;14.38,3.27,;13.04,.96,;11.71,1.73,;11.71,3.27,;13.04,4.04,;10.37,.96,;10.37,-.58,;9.04,1.73,;7.7,.96,;7.7,-.58,;6.37,-1.35,;6.37,-2.89,;5.03,-3.66,;7.7,-3.66,;6.36,1.73,;6.36,3.27,;5.03,.96,;3.7,1.73,;3.7,3.27,;5.03,4.04,;5.03,5.58,;6.36,6.35,;6.36,7.89,;7.7,8.66,;5.03,8.66,;2.36,.96,;2.36,-.58,;1.03,1.73,;-.31,.96,;-.31,-.58,;-1.64,-1.35,;-1.64,-2.89,;-2.98,-3.66,;-2.98,-5.2,;-1.64,-5.97,;-4.31,-5.97,;-1.64,1.73,;-1.64,3.27,;-2.98,.96,;-4.31,1.73,;-4.31,3.27,;-2.98,4.04,;-2.98,5.58,;-1.65,6.35,;-1.65,7.89,;-.31,8.66,;-2.98,8.66,;-5.65,.96,;-5.65,-.58,;-6.98,1.73,;-8.32,.96,;-8.32,-.58,;-9.65,-1.35,;-6.99,-1.35,;-9.65,1.73,;-9.65,3.27,;-10.99,.96,;-12.32,1.73,;-12.32,3.27,;-13.66,4.04,;-14.99,3.27,;-13.66,5.58,;-13.66,.96,;-13.66,-.58,;-14.99,1.73,;-16.33,.96,;-16.33,-.58,;-17.66,-1.35,;-17.74,-2.89,;-19.23,-3.29,;-20.07,-2,;-19.1,-.8,;-17.66,1.73,;-17.66,3.27,;-19,.96,;-20.33,1.73,;-20.33,3.27,;-19,4.04,;-19,5.58,;-17.67,6.35,;-20.33,6.35,;-21.67,.96,;-21.67,-.58,;-23,1.73,;-24.34,.96,;-24.34,-.58,;-25.67,-1.35,;-25.67,-2.89,;-27.01,-.58,;-25.67,1.73,;-25.67,3.27,;-27.01,.96,;-28.34,1.73,;-29.68,.96,;-29.68,-.58,;-31.01,1.73,;-32.35,.96,;-32.35,-.58,;-33.68,-1.35,;-35.02,-.58,;-33.68,-2.89,;-33.68,1.73,;-33.68,3.27,;-35.02,.96,;-36.35,1.73,;-36.35,3.27,;-35.02,4.04,;-37.69,4.04,;-37.69,.96,;-39.02,1.73,;-37.69,-.58,)|
Show InChI InChI=1S/C146H235N49O42S2/c1-70(2)54-93(130(225)185-98(60-79-63-163-69-169-79)134(229)177-88(38-43-107(150)204)124(219)186-99(61-109(152)206)118(213)168-64-111(208)170-100(62-110(153)207)136(231)193-113(73(7)8)116(154)211)188-142(237)115(75(11)200)195-129(224)85(31-23-51-167-146(161)162)174-120(215)82(28-20-48-164-143(155)156)171-119(214)83(29-21-49-165-144(157)158)172-122(217)86(36-41-105(148)202)178-138(233)103(67-198)192-140(235)104(68-199)190-126(221)89(39-44-108(151)205)176-128(223)92(47-53-239-13)181-139(234)102(66-197)191-131(226)94(55-71(3)4)187-141(236)114(74(9)10)194-135(230)95(56-72(5)6)182-133(228)97(59-78-32-34-80(201)35-33-78)184-123(218)87(37-42-106(149)203)175-121(216)84(30-22-50-166-145(159)160)173-127(222)91(46-52-238-12)180-132(227)96(58-77-26-18-15-19-27-77)183-125(220)90(40-45-112(209)210)179-137(232)101(65-196)189-117(212)81(147)57-76-24-16-14-17-25-76/h14-19,24-27,32-35,63,69-75,81-104,113-115,196-201H,20-23,28-31,36-62,64-68,147H2,1-13H3,(H2,148,202)(H2,149,203)(H2,150,204)(H2,151,205)(H2,152,206)(H2,153,207)(H2,154,211)(H,163,169)(H,168,213)(H,170,208)(H,171,214)(H,172,217)(H,173,222)(H,174,215)(H,175,216)(H,176,223)(H,177,229)(H,178,233)(H,179,232)(H,180,227)(H,181,234)(H,182,228)(H,183,220)(H,184,218)(H,185,225)(H,186,219)(H,187,236)(H,188,237)(H,189,212)(H,190,221)(H,191,226)(H,192,235)(H,193,231)(H,194,230)(H,195,224)(H,209,210)(H4,155,156,164)(H4,157,158,165)(H4,159,160,166)(H4,161,162,167)/t75?,81-,82+,83+,84+,85+,86+,87+,88+,89+,90-,91-,92+,93+,94+,95+,96-,97+,98+,99+,100+,101+,102+,103+,104+,113+,114+,115+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by PDSP Ki Database




J Chem Neuroanat 25: 233-47 (2003)


Article DOI: 10.1016/s0891-0618(03)00032-2
BindingDB Entry DOI: 10.7270/Q2XP73G2
More data for this
Ligand-Target Pair
Nociceptin receptor


(RAT)
BDBM86254
PNG
(OFQ II 1-17)
Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#16]-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O
Show InChI InChI=1S/C92H141N23O28S2/c1-47(2)38-62(82(133)113-67(44-117)87(138)105-60(34-37-145-8)81(132)102-57(26-30-71(95)122)79(130)112-69(46-119)89(140)114-68(45-118)88(139)106-61(91(142)143)27-31-72(96)123)110-90(141)74(49(5)6)115-85(136)63(39-48(3)4)107-84(135)65(42-52-21-23-53(120)24-22-52)109-77(128)56(25-29-70(94)121)101-76(127)55(20-15-35-99-92(97)98)100-80(131)59(33-36-144-7)104-83(134)64(41-51-18-13-10-14-19-51)108-78(129)58(28-32-73(124)125)103-86(137)66(43-116)111-75(126)54(93)40-50-16-11-9-12-17-50/h9-14,16-19,21-24,47-49,54-69,74,116-120H,15,20,25-46,93H2,1-8H3,(H2,94,121)(H2,95,122)(H2,96,123)(H,100,131)(H,101,127)(H,102,132)(H,103,137)(H,104,134)(H,105,138)(H,106,139)(H,107,135)(H,108,129)(H,109,128)(H,110,141)(H,111,126)(H,112,130)(H,113,133)(H,114,140)(H,115,136)(H,124,125)(H,142,143)(H4,97,98,99)/t54?,55-,56-,57-,58+,59+,60-,61-,62-,63-,64+,65-,66-,67-,68-,69-,74-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by PDSP Ki Database




J Chem Neuroanat 25: 233-47 (2003)


Article DOI: 10.1016/s0891-0618(03)00032-2
BindingDB Entry DOI: 10.7270/Q2XP73G2
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Rattus norvegicus (rat))
BDBM86252
PNG
(CAS_0 | NSC_0 | OFQ II 1-28)
Show SMILES CSCC[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CO)C(=O)N[C@H](CO)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@H](C(C)O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](CC(N)=O)C(=O)NCC(=O)N[C@H](CC(N)=O)C(=O)N[C@H](C(C)C)C(N)=O |wU:55.63,74.83,85.92,34.43,94.98,22.22,8.10,115.117,130.132,145.147,167.169,185.187,203.206,232.235,wD:66.71,46.52,26.30,100.102,14.18,4.4,124.126,136.138,156.158,178.180,193.195,212.215,224.227,(21.05,-3.66,;22.39,-2.89,;22.39,-1.35,;23.72,-.58,;23.72,.96,;25.06,1.73,;26.39,.96,;26.39,-.58,;27.73,1.73,;27.73,3.27,;29.06,4.04,;29.06,.96,;30.4,1.73,;30.4,3.27,;31.73,.96,;31.73,-.58,;30.4,-1.35,;29.06,-.58,;30.4,-2.89,;33.07,1.73,;34.4,.96,;34.4,-.58,;35.74,1.73,;37.07,.96,;38.41,1.73,;38.41,3.27,;39.74,.96,;39.74,-.58,;38.41,-1.35,;37.07,-.58,;38.41,-2.89,;41.08,1.73,;42.41,.96,;42.41,-.58,;43.75,1.73,;43.75,3.27,;42.41,4.04,;42.41,5.58,;41.08,6.35,;39.74,5.58,;38.41,6.35,;39.74,4.04,;41.08,3.27,;45.08,.96,;46.42,1.73,;46.42,3.27,;47.75,.96,;47.75,-.58,;46.42,-1.35,;46.42,-2.89,;45.08,-3.66,;47.75,-3.66,;49.09,1.73,;50.42,.96,;50.42,-.58,;51.76,1.73,;51.76,3.27,;53.09,4.04,;53.09,5.58,;54.42,6.35,;54.42,7.89,;53.33,8.97,;55.76,8.66,;53.09,.96,;54.43,1.73,;54.43,3.27,;55.76,.96,;57.1,1.73,;58.43,.96,;59.76,1.73,;61.1,.96,;54.99,-.38,;55.76,-1.71,;57.3,-1.71,;54.99,-3.05,;54,-4.23,;54.53,-5.67,;53.54,-6.85,;54.07,-8.3,;55.59,-8.57,;56.58,-7.38,;56.05,-5.94,;56.17,-4.03,;57.69,-3.76,;58.21,-2.31,;58.68,-4.94,;58.28,-6.42,;59.37,-7.51,;58.97,-9,;60.31,-9.77,;57.49,-9.4,;60.2,-4.66,;61.19,-5.84,;60.67,-7.29,;62.71,-5.57,;63.11,-4.08,;64.59,-3.68,;63.7,-6.74,;65.22,-6.47,;65.74,-5.02,;66.21,-7.65,;67.39,-6.65,;67.21,-8.82,;68.72,-8.55,;69.71,-9.73,;71.23,-9.45,;71.75,-8.01,;70.76,-6.83,;69.24,-7.1,;35.74,3.27,;34.4,4.04,;37.07,4.04,;22.39,1.73,;22.39,3.27,;21.05,.96,;19.72,1.73,;19.72,3.27,;21.05,4.04,;21.05,5.58,;22.38,6.35,;19.72,6.35,;18.38,.96,;18.38,-.58,;17.05,1.73,;15.71,.96,;15.71,-.58,;17.04,-1.35,;14.38,1.73,;14.38,3.27,;13.04,.96,;11.71,1.73,;11.71,3.27,;13.04,4.04,;10.37,.96,;10.37,-.58,;9.04,1.73,;7.7,.96,;7.7,-.58,;6.37,-1.35,;6.37,-2.89,;5.03,-3.66,;7.7,-3.66,;6.36,1.73,;6.36,3.27,;5.03,.96,;3.7,1.73,;3.7,3.27,;5.03,4.04,;5.03,5.58,;6.36,6.35,;6.36,7.89,;7.7,8.66,;5.03,8.66,;2.36,.96,;2.36,-.58,;1.03,1.73,;-.31,.96,;-.31,-.58,;-1.64,-1.35,;-1.64,-2.89,;-2.98,-3.66,;-2.98,-5.2,;-1.64,-5.97,;-4.31,-5.97,;-1.64,1.73,;-1.64,3.27,;-2.98,.96,;-4.31,1.73,;-4.31,3.27,;-2.98,4.04,;-2.98,5.58,;-1.65,6.35,;-1.65,7.89,;-.31,8.66,;-2.98,8.66,;-5.65,.96,;-5.65,-.58,;-6.98,1.73,;-8.32,.96,;-8.32,-.58,;-9.65,-1.35,;-6.99,-1.35,;-9.65,1.73,;-9.65,3.27,;-10.99,.96,;-12.32,1.73,;-12.32,3.27,;-13.66,4.04,;-14.99,3.27,;-13.66,5.58,;-13.66,.96,;-13.66,-.58,;-14.99,1.73,;-16.33,.96,;-16.33,-.58,;-17.66,-1.35,;-17.74,-2.89,;-19.23,-3.29,;-20.07,-2,;-19.1,-.8,;-17.66,1.73,;-17.66,3.27,;-19,.96,;-20.33,1.73,;-20.33,3.27,;-19,4.04,;-19,5.58,;-17.67,6.35,;-20.33,6.35,;-21.67,.96,;-21.67,-.58,;-23,1.73,;-24.34,.96,;-24.34,-.58,;-25.67,-1.35,;-25.67,-2.89,;-27.01,-.58,;-25.67,1.73,;-25.67,3.27,;-27.01,.96,;-28.34,1.73,;-29.68,.96,;-29.68,-.58,;-31.01,1.73,;-32.35,.96,;-32.35,-.58,;-33.68,-1.35,;-35.02,-.58,;-33.68,-2.89,;-33.68,1.73,;-33.68,3.27,;-35.02,.96,;-36.35,1.73,;-36.35,3.27,;-35.02,4.04,;-37.69,4.04,;-37.69,.96,;-39.02,1.73,;-37.69,-.58,)|
Show InChI InChI=1S/C146H235N49O42S2/c1-70(2)54-93(130(225)185-98(60-79-63-163-69-169-79)134(229)177-88(38-43-107(150)204)124(219)186-99(61-109(152)206)118(213)168-64-111(208)170-100(62-110(153)207)136(231)193-113(73(7)8)116(154)211)188-142(237)115(75(11)200)195-129(224)85(31-23-51-167-146(161)162)174-120(215)82(28-20-48-164-143(155)156)171-119(214)83(29-21-49-165-144(157)158)172-122(217)86(36-41-105(148)202)178-138(233)103(67-198)192-140(235)104(68-199)190-126(221)89(39-44-108(151)205)176-128(223)92(47-53-239-13)181-139(234)102(66-197)191-131(226)94(55-71(3)4)187-141(236)114(74(9)10)194-135(230)95(56-72(5)6)182-133(228)97(59-78-32-34-80(201)35-33-78)184-123(218)87(37-42-106(149)203)175-121(216)84(30-22-50-166-145(159)160)173-127(222)91(46-52-238-12)180-132(227)96(58-77-26-18-15-19-27-77)183-125(220)90(40-45-112(209)210)179-137(232)101(65-196)189-117(212)81(147)57-76-24-16-14-17-25-76/h14-19,24-27,32-35,63,69-75,81-104,113-115,196-201H,20-23,28-31,36-62,64-68,147H2,1-13H3,(H2,148,202)(H2,149,203)(H2,150,204)(H2,151,205)(H2,152,206)(H2,153,207)(H2,154,211)(H,163,169)(H,168,213)(H,170,208)(H,171,214)(H,172,217)(H,173,222)(H,174,215)(H,175,216)(H,176,223)(H,177,229)(H,178,233)(H,179,232)(H,180,227)(H,181,234)(H,182,228)(H,183,220)(H,184,218)(H,185,225)(H,186,219)(H,187,236)(H,188,237)(H,189,212)(H,190,221)(H,191,226)(H,192,235)(H,193,231)(H,194,230)(H,195,224)(H,209,210)(H4,155,156,164)(H4,157,158,165)(H4,159,160,166)(H4,161,162,167)/t75?,81-,82+,83+,84+,85+,86+,87+,88+,89+,90-,91-,92+,93+,94+,95+,96-,97+,98+,99+,100+,101+,102+,103+,104+,113+,114+,115+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



University of Michigan

Curated by PDSP Ki Database




J Chem Neuroanat 25: 233-47 (2003)


Article DOI: 10.1016/s0891-0618(03)00032-2
BindingDB Entry DOI: 10.7270/Q2XP73G2
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%