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BDBM82407 Gamma1-MSH

SMILES: CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=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)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=SLEIICTWQFRIFM-SLNSXFHGSA-N

Data: 8 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 8 hits for monomerid = 82407   
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))
BDBM82407
PNG
(Gamma1-MSH)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=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)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:64.66,86.90,42.43,8.8,wD:78.82,53.55,97.101,32.32,4.4,12.12,(-14.04,.99,;-14.78,2.35,;-14.02,3.65,;-14.77,4.99,;-14.01,6.33,;-14.73,7.71,;-16.25,7.73,;-17.05,6.43,;-17.03,9.09,;-18.55,9.11,;-19.31,10.42,;-18.57,11.8,;-20.87,10.42,;-21.61,11.75,;-21.65,9.02,;-20.87,7.69,;-21.61,6.34,;-20.83,5.03,;-19.26,5.05,;-18.53,3.73,;-18.55,6.43,;-19.33,7.69,;-16.24,10.4,;-17.01,11.75,;-14.7,10.37,;-12.42,6.34,;-11.64,7.66,;-11.62,5.05,;-10.08,5.12,;-9.32,3.78,;-10.05,2.47,;-7.8,3.75,;-7.06,2.38,;-7.8,1.04,;-7.06,-.28,;-5.54,-.43,;-5.12,-1.9,;-6.42,-2.71,;-7.65,-1.76,;-5.47,2.4,;-4.71,3.73,;-4.67,1.11,;-3.12,1.18,;-2.36,2.54,;-.86,2.59,;-.16,3.96,;1.39,3.98,;2.27,2.71,;1.55,1.33,;-.01,1.31,;-2.31,-.1,;-3.02,-1.45,;-.79,-.03,;.06,-1.28,;-.63,-2.68,;.27,-3.99,;-.44,-5.36,;.51,-6.64,;-.15,-7.98,;.77,-9.26,;-1.62,-8.21,;1.63,-1.23,;2.31,.16,;2.5,-2.47,;3.95,-2.35,;4.73,-.92,;6.14,-.69,;7.25,-1.9,;8.72,-1.33,;8.53,.26,;9.57,1.37,;9.12,2.85,;7.6,3.13,;6.56,2.06,;7.01,.55,;4.9,-3.56,;4.09,-5.13,;6.39,-3.25,;7.42,-4.37,;6.97,-5.86,;8.03,-6.98,;9.51,-6.64,;7.53,-8.52,;8.96,-4.04,;9.41,-2.59,;10,-5.13,;11.45,-4.77,;11.9,-3.27,;13.45,-2.92,;13.89,-1.45,;15.42,-1.18,;15.91,.29,;17.43,.59,;14.96,1.43,;12.56,-5.88,;12.12,-7.38,;14.04,-5.51,;15.11,-6.64,;14.7,-8.12,;15.75,-9.23,;17.27,-8.9,;18.36,-10.04,;17.91,-11.48,;16.39,-11.8,;15.32,-10.7,;16.6,-6.26,;17.64,-7.34,;17.03,-4.8,)|
Show InChI InChI=1S/C72H97N21O14S/c1-40(2)60(93-62(99)48(73)30-43-22-24-46(94)25-23-43)70(107)88-52(26-29-108-3)63(100)83-38-58(95)85-56(34-45-37-79-39-84-45)68(105)90-54(32-42-16-8-5-9-17-42)66(103)86-51(21-13-28-81-72(77)78)65(102)91-55(33-44-36-82-49-19-11-10-18-47(44)49)67(104)92-57(35-59(96)97)69(106)87-50(20-12-27-80-71(75)76)64(101)89-53(61(74)98)31-41-14-6-4-7-15-41/h4-11,14-19,22-25,36-37,39-40,48,50-57,60,82,94H,12-13,20-21,26-35,38,73H2,1-3H3,(H2,74,98)(H,79,84)(H,83,100)(H,85,95)(H,86,103)(H,87,106)(H,88,107)(H,89,101)(H,90,105)(H,91,102)(H,92,104)(H,93,99)(H,96,97)(H4,75,76,80)(H4,77,78,81)/t48-,50-,51-,52-,53-,54-,55-,56-,57-,60-/m0/s1
PDB

KEGG

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PubMed
2.68n/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))
BDBM82407
PNG
(Gamma1-MSH)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=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)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:64.66,86.90,42.43,8.8,wD:78.82,53.55,97.101,32.32,4.4,12.12,(-14.04,.99,;-14.78,2.35,;-14.02,3.65,;-14.77,4.99,;-14.01,6.33,;-14.73,7.71,;-16.25,7.73,;-17.05,6.43,;-17.03,9.09,;-18.55,9.11,;-19.31,10.42,;-18.57,11.8,;-20.87,10.42,;-21.61,11.75,;-21.65,9.02,;-20.87,7.69,;-21.61,6.34,;-20.83,5.03,;-19.26,5.05,;-18.53,3.73,;-18.55,6.43,;-19.33,7.69,;-16.24,10.4,;-17.01,11.75,;-14.7,10.37,;-12.42,6.34,;-11.64,7.66,;-11.62,5.05,;-10.08,5.12,;-9.32,3.78,;-10.05,2.47,;-7.8,3.75,;-7.06,2.38,;-7.8,1.04,;-7.06,-.28,;-5.54,-.43,;-5.12,-1.9,;-6.42,-2.71,;-7.65,-1.76,;-5.47,2.4,;-4.71,3.73,;-4.67,1.11,;-3.12,1.18,;-2.36,2.54,;-.86,2.59,;-.16,3.96,;1.39,3.98,;2.27,2.71,;1.55,1.33,;-.01,1.31,;-2.31,-.1,;-3.02,-1.45,;-.79,-.03,;.06,-1.28,;-.63,-2.68,;.27,-3.99,;-.44,-5.36,;.51,-6.64,;-.15,-7.98,;.77,-9.26,;-1.62,-8.21,;1.63,-1.23,;2.31,.16,;2.5,-2.47,;3.95,-2.35,;4.73,-.92,;6.14,-.69,;7.25,-1.9,;8.72,-1.33,;8.53,.26,;9.57,1.37,;9.12,2.85,;7.6,3.13,;6.56,2.06,;7.01,.55,;4.9,-3.56,;4.09,-5.13,;6.39,-3.25,;7.42,-4.37,;6.97,-5.86,;8.03,-6.98,;9.51,-6.64,;7.53,-8.52,;8.96,-4.04,;9.41,-2.59,;10,-5.13,;11.45,-4.77,;11.9,-3.27,;13.45,-2.92,;13.89,-1.45,;15.42,-1.18,;15.91,.29,;17.43,.59,;14.96,1.43,;12.56,-5.88,;12.12,-7.38,;14.04,-5.51,;15.11,-6.64,;14.7,-8.12,;15.75,-9.23,;17.27,-8.9,;18.36,-10.04,;17.91,-11.48,;16.39,-11.8,;15.32,-10.7,;16.6,-6.26,;17.64,-7.34,;17.03,-4.8,)|
Show InChI InChI=1S/C72H97N21O14S/c1-40(2)60(93-62(99)48(73)30-43-22-24-46(94)25-23-43)70(107)88-52(26-29-108-3)63(100)83-38-58(95)85-56(34-45-37-79-39-84-45)68(105)90-54(32-42-16-8-5-9-17-42)66(103)86-51(21-13-28-81-72(77)78)65(102)91-55(33-44-36-82-49-19-11-10-18-47(44)49)67(104)92-57(35-59(96)97)69(106)87-50(20-12-27-80-71(75)76)64(101)89-53(61(74)98)31-41-14-6-4-7-15-41/h4-11,14-19,22-25,36-37,39-40,48,50-57,60,82,94H,12-13,20-21,26-35,38,73H2,1-3H3,(H2,74,98)(H,79,84)(H,83,100)(H,85,95)(H,86,103)(H,87,106)(H,88,107)(H,89,101)(H,90,105)(H,91,102)(H,92,104)(H,93,99)(H,96,97)(H4,75,76,80)(H4,77,78,81)/t48-,50-,51-,52-,53-,54-,55-,56-,57-,60-/m0/s1
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
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PC sid
UniChem

Similars

Article
PubMed
2.68n/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))
BDBM82407
PNG
(Gamma1-MSH)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=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)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:64.66,86.90,42.43,8.8,wD:78.82,53.55,97.101,32.32,4.4,12.12,(-14.04,.99,;-14.78,2.35,;-14.02,3.65,;-14.77,4.99,;-14.01,6.33,;-14.73,7.71,;-16.25,7.73,;-17.05,6.43,;-17.03,9.09,;-18.55,9.11,;-19.31,10.42,;-18.57,11.8,;-20.87,10.42,;-21.61,11.75,;-21.65,9.02,;-20.87,7.69,;-21.61,6.34,;-20.83,5.03,;-19.26,5.05,;-18.53,3.73,;-18.55,6.43,;-19.33,7.69,;-16.24,10.4,;-17.01,11.75,;-14.7,10.37,;-12.42,6.34,;-11.64,7.66,;-11.62,5.05,;-10.08,5.12,;-9.32,3.78,;-10.05,2.47,;-7.8,3.75,;-7.06,2.38,;-7.8,1.04,;-7.06,-.28,;-5.54,-.43,;-5.12,-1.9,;-6.42,-2.71,;-7.65,-1.76,;-5.47,2.4,;-4.71,3.73,;-4.67,1.11,;-3.12,1.18,;-2.36,2.54,;-.86,2.59,;-.16,3.96,;1.39,3.98,;2.27,2.71,;1.55,1.33,;-.01,1.31,;-2.31,-.1,;-3.02,-1.45,;-.79,-.03,;.06,-1.28,;-.63,-2.68,;.27,-3.99,;-.44,-5.36,;.51,-6.64,;-.15,-7.98,;.77,-9.26,;-1.62,-8.21,;1.63,-1.23,;2.31,.16,;2.5,-2.47,;3.95,-2.35,;4.73,-.92,;6.14,-.69,;7.25,-1.9,;8.72,-1.33,;8.53,.26,;9.57,1.37,;9.12,2.85,;7.6,3.13,;6.56,2.06,;7.01,.55,;4.9,-3.56,;4.09,-5.13,;6.39,-3.25,;7.42,-4.37,;6.97,-5.86,;8.03,-6.98,;9.51,-6.64,;7.53,-8.52,;8.96,-4.04,;9.41,-2.59,;10,-5.13,;11.45,-4.77,;11.9,-3.27,;13.45,-2.92,;13.89,-1.45,;15.42,-1.18,;15.91,.29,;17.43,.59,;14.96,1.43,;12.56,-5.88,;12.12,-7.38,;14.04,-5.51,;15.11,-6.64,;14.7,-8.12,;15.75,-9.23,;17.27,-8.9,;18.36,-10.04,;17.91,-11.48,;16.39,-11.8,;15.32,-10.7,;16.6,-6.26,;17.64,-7.34,;17.03,-4.8,)|
Show InChI InChI=1S/C72H97N21O14S/c1-40(2)60(93-62(99)48(73)30-43-22-24-46(94)25-23-43)70(107)88-52(26-29-108-3)63(100)83-38-58(95)85-56(34-45-37-79-39-84-45)68(105)90-54(32-42-16-8-5-9-17-42)66(103)86-51(21-13-28-81-72(77)78)65(102)91-55(33-44-36-82-49-19-11-10-18-47(44)49)67(104)92-57(35-59(96)97)69(106)87-50(20-12-27-80-71(75)76)64(101)89-53(61(74)98)31-41-14-6-4-7-15-41/h4-11,14-19,22-25,36-37,39-40,48,50-57,60,82,94H,12-13,20-21,26-35,38,73H2,1-3H3,(H2,74,98)(H,79,84)(H,83,100)(H,85,95)(H,86,103)(H,87,106)(H,88,107)(H,89,101)(H,90,105)(H,91,102)(H,92,104)(H,93,99)(H,96,97)(H4,75,76,80)(H4,77,78,81)/t48-,50-,51-,52-,53-,54-,55-,56-,57-,60-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
7.06n/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))
BDBM82407
PNG
(Gamma1-MSH)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=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)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:64.66,86.90,42.43,8.8,wD:78.82,53.55,97.101,32.32,4.4,12.12,(-14.04,.99,;-14.78,2.35,;-14.02,3.65,;-14.77,4.99,;-14.01,6.33,;-14.73,7.71,;-16.25,7.73,;-17.05,6.43,;-17.03,9.09,;-18.55,9.11,;-19.31,10.42,;-18.57,11.8,;-20.87,10.42,;-21.61,11.75,;-21.65,9.02,;-20.87,7.69,;-21.61,6.34,;-20.83,5.03,;-19.26,5.05,;-18.53,3.73,;-18.55,6.43,;-19.33,7.69,;-16.24,10.4,;-17.01,11.75,;-14.7,10.37,;-12.42,6.34,;-11.64,7.66,;-11.62,5.05,;-10.08,5.12,;-9.32,3.78,;-10.05,2.47,;-7.8,3.75,;-7.06,2.38,;-7.8,1.04,;-7.06,-.28,;-5.54,-.43,;-5.12,-1.9,;-6.42,-2.71,;-7.65,-1.76,;-5.47,2.4,;-4.71,3.73,;-4.67,1.11,;-3.12,1.18,;-2.36,2.54,;-.86,2.59,;-.16,3.96,;1.39,3.98,;2.27,2.71,;1.55,1.33,;-.01,1.31,;-2.31,-.1,;-3.02,-1.45,;-.79,-.03,;.06,-1.28,;-.63,-2.68,;.27,-3.99,;-.44,-5.36,;.51,-6.64,;-.15,-7.98,;.77,-9.26,;-1.62,-8.21,;1.63,-1.23,;2.31,.16,;2.5,-2.47,;3.95,-2.35,;4.73,-.92,;6.14,-.69,;7.25,-1.9,;8.72,-1.33,;8.53,.26,;9.57,1.37,;9.12,2.85,;7.6,3.13,;6.56,2.06,;7.01,.55,;4.9,-3.56,;4.09,-5.13,;6.39,-3.25,;7.42,-4.37,;6.97,-5.86,;8.03,-6.98,;9.51,-6.64,;7.53,-8.52,;8.96,-4.04,;9.41,-2.59,;10,-5.13,;11.45,-4.77,;11.9,-3.27,;13.45,-2.92,;13.89,-1.45,;15.42,-1.18,;15.91,.29,;17.43,.59,;14.96,1.43,;12.56,-5.88,;12.12,-7.38,;14.04,-5.51,;15.11,-6.64,;14.7,-8.12,;15.75,-9.23,;17.27,-8.9,;18.36,-10.04,;17.91,-11.48,;16.39,-11.8,;15.32,-10.7,;16.6,-6.26,;17.64,-7.34,;17.03,-4.8,)|
Show InChI InChI=1S/C72H97N21O14S/c1-40(2)60(93-62(99)48(73)30-43-22-24-46(94)25-23-43)70(107)88-52(26-29-108-3)63(100)83-38-58(95)85-56(34-45-37-79-39-84-45)68(105)90-54(32-42-16-8-5-9-17-42)66(103)86-51(21-13-28-81-72(77)78)65(102)91-55(33-44-36-82-49-19-11-10-18-47(44)49)67(104)92-57(35-59(96)97)69(106)87-50(20-12-27-80-71(75)76)64(101)89-53(61(74)98)31-41-14-6-4-7-15-41/h4-11,14-19,22-25,36-37,39-40,48,50-57,60,82,94H,12-13,20-21,26-35,38,73H2,1-3H3,(H2,74,98)(H,79,84)(H,83,100)(H,85,95)(H,86,103)(H,87,106)(H,88,107)(H,89,101)(H,90,105)(H,91,102)(H,92,104)(H,93,99)(H,96,97)(H4,75,76,80)(H4,77,78,81)/t48-,50-,51-,52-,53-,54-,55-,56-,57-,60-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.06n/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))
BDBM82407
PNG
(Gamma1-MSH)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=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)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:64.66,86.90,42.43,8.8,wD:78.82,53.55,97.101,32.32,4.4,12.12,(-14.04,.99,;-14.78,2.35,;-14.02,3.65,;-14.77,4.99,;-14.01,6.33,;-14.73,7.71,;-16.25,7.73,;-17.05,6.43,;-17.03,9.09,;-18.55,9.11,;-19.31,10.42,;-18.57,11.8,;-20.87,10.42,;-21.61,11.75,;-21.65,9.02,;-20.87,7.69,;-21.61,6.34,;-20.83,5.03,;-19.26,5.05,;-18.53,3.73,;-18.55,6.43,;-19.33,7.69,;-16.24,10.4,;-17.01,11.75,;-14.7,10.37,;-12.42,6.34,;-11.64,7.66,;-11.62,5.05,;-10.08,5.12,;-9.32,3.78,;-10.05,2.47,;-7.8,3.75,;-7.06,2.38,;-7.8,1.04,;-7.06,-.28,;-5.54,-.43,;-5.12,-1.9,;-6.42,-2.71,;-7.65,-1.76,;-5.47,2.4,;-4.71,3.73,;-4.67,1.11,;-3.12,1.18,;-2.36,2.54,;-.86,2.59,;-.16,3.96,;1.39,3.98,;2.27,2.71,;1.55,1.33,;-.01,1.31,;-2.31,-.1,;-3.02,-1.45,;-.79,-.03,;.06,-1.28,;-.63,-2.68,;.27,-3.99,;-.44,-5.36,;.51,-6.64,;-.15,-7.98,;.77,-9.26,;-1.62,-8.21,;1.63,-1.23,;2.31,.16,;2.5,-2.47,;3.95,-2.35,;4.73,-.92,;6.14,-.69,;7.25,-1.9,;8.72,-1.33,;8.53,.26,;9.57,1.37,;9.12,2.85,;7.6,3.13,;6.56,2.06,;7.01,.55,;4.9,-3.56,;4.09,-5.13,;6.39,-3.25,;7.42,-4.37,;6.97,-5.86,;8.03,-6.98,;9.51,-6.64,;7.53,-8.52,;8.96,-4.04,;9.41,-2.59,;10,-5.13,;11.45,-4.77,;11.9,-3.27,;13.45,-2.92,;13.89,-1.45,;15.42,-1.18,;15.91,.29,;17.43,.59,;14.96,1.43,;12.56,-5.88,;12.12,-7.38,;14.04,-5.51,;15.11,-6.64,;14.7,-8.12,;15.75,-9.23,;17.27,-8.9,;18.36,-10.04,;17.91,-11.48,;16.39,-11.8,;15.32,-10.7,;16.6,-6.26,;17.64,-7.34,;17.03,-4.8,)|
Show InChI InChI=1S/C72H97N21O14S/c1-40(2)60(93-62(99)48(73)30-43-22-24-46(94)25-23-43)70(107)88-52(26-29-108-3)63(100)83-38-58(95)85-56(34-45-37-79-39-84-45)68(105)90-54(32-42-16-8-5-9-17-42)66(103)86-51(21-13-28-81-72(77)78)65(102)91-55(33-44-36-82-49-19-11-10-18-47(44)49)67(104)92-57(35-59(96)97)69(106)87-50(20-12-27-80-71(75)76)64(101)89-53(61(74)98)31-41-14-6-4-7-15-41/h4-11,14-19,22-25,36-37,39-40,48,50-57,60,82,94H,12-13,20-21,26-35,38,73H2,1-3H3,(H2,74,98)(H,79,84)(H,83,100)(H,85,95)(H,86,103)(H,87,106)(H,88,107)(H,89,101)(H,90,105)(H,91,102)(H,92,104)(H,93,99)(H,96,97)(H4,75,76,80)(H4,77,78,81)/t48-,50-,51-,52-,53-,54-,55-,56-,57-,60-/m0/s1
PDB

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589n/an/an/an/an/an/an/an/a



Neurocrine Biosciences Inc

Curated by PDSP Ki Database




J Pharmacol Exp Ther 313: 1281-8 (2005)


Article DOI: 10.1124/jpet.105.083337
BindingDB Entry DOI: 10.7270/Q2154FMM
More data for this
Ligand-Target Pair
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM82407
PNG
(Gamma1-MSH)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=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)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:64.66,86.90,42.43,8.8,wD:78.82,53.55,97.101,32.32,4.4,12.12,(-14.04,.99,;-14.78,2.35,;-14.02,3.65,;-14.77,4.99,;-14.01,6.33,;-14.73,7.71,;-16.25,7.73,;-17.05,6.43,;-17.03,9.09,;-18.55,9.11,;-19.31,10.42,;-18.57,11.8,;-20.87,10.42,;-21.61,11.75,;-21.65,9.02,;-20.87,7.69,;-21.61,6.34,;-20.83,5.03,;-19.26,5.05,;-18.53,3.73,;-18.55,6.43,;-19.33,7.69,;-16.24,10.4,;-17.01,11.75,;-14.7,10.37,;-12.42,6.34,;-11.64,7.66,;-11.62,5.05,;-10.08,5.12,;-9.32,3.78,;-10.05,2.47,;-7.8,3.75,;-7.06,2.38,;-7.8,1.04,;-7.06,-.28,;-5.54,-.43,;-5.12,-1.9,;-6.42,-2.71,;-7.65,-1.76,;-5.47,2.4,;-4.71,3.73,;-4.67,1.11,;-3.12,1.18,;-2.36,2.54,;-.86,2.59,;-.16,3.96,;1.39,3.98,;2.27,2.71,;1.55,1.33,;-.01,1.31,;-2.31,-.1,;-3.02,-1.45,;-.79,-.03,;.06,-1.28,;-.63,-2.68,;.27,-3.99,;-.44,-5.36,;.51,-6.64,;-.15,-7.98,;.77,-9.26,;-1.62,-8.21,;1.63,-1.23,;2.31,.16,;2.5,-2.47,;3.95,-2.35,;4.73,-.92,;6.14,-.69,;7.25,-1.9,;8.72,-1.33,;8.53,.26,;9.57,1.37,;9.12,2.85,;7.6,3.13,;6.56,2.06,;7.01,.55,;4.9,-3.56,;4.09,-5.13,;6.39,-3.25,;7.42,-4.37,;6.97,-5.86,;8.03,-6.98,;9.51,-6.64,;7.53,-8.52,;8.96,-4.04,;9.41,-2.59,;10,-5.13,;11.45,-4.77,;11.9,-3.27,;13.45,-2.92,;13.89,-1.45,;15.42,-1.18,;15.91,.29,;17.43,.59,;14.96,1.43,;12.56,-5.88,;12.12,-7.38,;14.04,-5.51,;15.11,-6.64,;14.7,-8.12,;15.75,-9.23,;17.27,-8.9,;18.36,-10.04,;17.91,-11.48,;16.39,-11.8,;15.32,-10.7,;16.6,-6.26,;17.64,-7.34,;17.03,-4.8,)|
Show InChI InChI=1S/C72H97N21O14S/c1-40(2)60(93-62(99)48(73)30-43-22-24-46(94)25-23-43)70(107)88-52(26-29-108-3)63(100)83-38-58(95)85-56(34-45-37-79-39-84-45)68(105)90-54(32-42-16-8-5-9-17-42)66(103)86-51(21-13-28-81-72(77)78)65(102)91-55(33-44-36-82-49-19-11-10-18-47(44)49)67(104)92-57(35-59(96)97)69(106)87-50(20-12-27-80-71(75)76)64(101)89-53(61(74)98)31-41-14-6-4-7-15-41/h4-11,14-19,22-25,36-37,39-40,48,50-57,60,82,94H,12-13,20-21,26-35,38,73H2,1-3H3,(H2,74,98)(H,79,84)(H,83,100)(H,85,95)(H,86,103)(H,87,106)(H,88,107)(H,89,101)(H,90,105)(H,91,102)(H,92,104)(H,93,99)(H,96,97)(H4,75,76,80)(H4,77,78,81)/t48-,50-,51-,52-,53-,54-,55-,56-,57-,60-/m0/s1
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>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 4


(Homo sapiens (Human))
BDBM82407
PNG
(Gamma1-MSH)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=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)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:64.66,86.90,42.43,8.8,wD:78.82,53.55,97.101,32.32,4.4,12.12,(-14.04,.99,;-14.78,2.35,;-14.02,3.65,;-14.77,4.99,;-14.01,6.33,;-14.73,7.71,;-16.25,7.73,;-17.05,6.43,;-17.03,9.09,;-18.55,9.11,;-19.31,10.42,;-18.57,11.8,;-20.87,10.42,;-21.61,11.75,;-21.65,9.02,;-20.87,7.69,;-21.61,6.34,;-20.83,5.03,;-19.26,5.05,;-18.53,3.73,;-18.55,6.43,;-19.33,7.69,;-16.24,10.4,;-17.01,11.75,;-14.7,10.37,;-12.42,6.34,;-11.64,7.66,;-11.62,5.05,;-10.08,5.12,;-9.32,3.78,;-10.05,2.47,;-7.8,3.75,;-7.06,2.38,;-7.8,1.04,;-7.06,-.28,;-5.54,-.43,;-5.12,-1.9,;-6.42,-2.71,;-7.65,-1.76,;-5.47,2.4,;-4.71,3.73,;-4.67,1.11,;-3.12,1.18,;-2.36,2.54,;-.86,2.59,;-.16,3.96,;1.39,3.98,;2.27,2.71,;1.55,1.33,;-.01,1.31,;-2.31,-.1,;-3.02,-1.45,;-.79,-.03,;.06,-1.28,;-.63,-2.68,;.27,-3.99,;-.44,-5.36,;.51,-6.64,;-.15,-7.98,;.77,-9.26,;-1.62,-8.21,;1.63,-1.23,;2.31,.16,;2.5,-2.47,;3.95,-2.35,;4.73,-.92,;6.14,-.69,;7.25,-1.9,;8.72,-1.33,;8.53,.26,;9.57,1.37,;9.12,2.85,;7.6,3.13,;6.56,2.06,;7.01,.55,;4.9,-3.56,;4.09,-5.13,;6.39,-3.25,;7.42,-4.37,;6.97,-5.86,;8.03,-6.98,;9.51,-6.64,;7.53,-8.52,;8.96,-4.04,;9.41,-2.59,;10,-5.13,;11.45,-4.77,;11.9,-3.27,;13.45,-2.92,;13.89,-1.45,;15.42,-1.18,;15.91,.29,;17.43,.59,;14.96,1.43,;12.56,-5.88,;12.12,-7.38,;14.04,-5.51,;15.11,-6.64,;14.7,-8.12,;15.75,-9.23,;17.27,-8.9,;18.36,-10.04,;17.91,-11.48,;16.39,-11.8,;15.32,-10.7,;16.6,-6.26,;17.64,-7.34,;17.03,-4.8,)|
Show InChI InChI=1S/C72H97N21O14S/c1-40(2)60(93-62(99)48(73)30-43-22-24-46(94)25-23-43)70(107)88-52(26-29-108-3)63(100)83-38-58(95)85-56(34-45-37-79-39-84-45)68(105)90-54(32-42-16-8-5-9-17-42)66(103)86-51(21-13-28-81-72(77)78)65(102)91-55(33-44-36-82-49-19-11-10-18-47(44)49)67(104)92-57(35-59(96)97)69(106)87-50(20-12-27-80-71(75)76)64(101)89-53(61(74)98)31-41-14-6-4-7-15-41/h4-11,14-19,22-25,36-37,39-40,48,50-57,60,82,94H,12-13,20-21,26-35,38,73H2,1-3H3,(H2,74,98)(H,79,84)(H,83,100)(H,85,95)(H,86,103)(H,87,106)(H,88,107)(H,89,101)(H,90,105)(H,91,102)(H,92,104)(H,93,99)(H,96,97)(H4,75,76,80)(H4,77,78,81)/t48-,50-,51-,52-,53-,54-,55-,56-,57-,60-/m0/s1
PDB

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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
Melanocortin receptor 5 (MC5R)


(Homo sapiens (Human))
BDBM82407
PNG
(Gamma1-MSH)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)NCC(=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)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:64.66,86.90,42.43,8.8,wD:78.82,53.55,97.101,32.32,4.4,12.12,(-14.04,.99,;-14.78,2.35,;-14.02,3.65,;-14.77,4.99,;-14.01,6.33,;-14.73,7.71,;-16.25,7.73,;-17.05,6.43,;-17.03,9.09,;-18.55,9.11,;-19.31,10.42,;-18.57,11.8,;-20.87,10.42,;-21.61,11.75,;-21.65,9.02,;-20.87,7.69,;-21.61,6.34,;-20.83,5.03,;-19.26,5.05,;-18.53,3.73,;-18.55,6.43,;-19.33,7.69,;-16.24,10.4,;-17.01,11.75,;-14.7,10.37,;-12.42,6.34,;-11.64,7.66,;-11.62,5.05,;-10.08,5.12,;-9.32,3.78,;-10.05,2.47,;-7.8,3.75,;-7.06,2.38,;-7.8,1.04,;-7.06,-.28,;-5.54,-.43,;-5.12,-1.9,;-6.42,-2.71,;-7.65,-1.76,;-5.47,2.4,;-4.71,3.73,;-4.67,1.11,;-3.12,1.18,;-2.36,2.54,;-.86,2.59,;-.16,3.96,;1.39,3.98,;2.27,2.71,;1.55,1.33,;-.01,1.31,;-2.31,-.1,;-3.02,-1.45,;-.79,-.03,;.06,-1.28,;-.63,-2.68,;.27,-3.99,;-.44,-5.36,;.51,-6.64,;-.15,-7.98,;.77,-9.26,;-1.62,-8.21,;1.63,-1.23,;2.31,.16,;2.5,-2.47,;3.95,-2.35,;4.73,-.92,;6.14,-.69,;7.25,-1.9,;8.72,-1.33,;8.53,.26,;9.57,1.37,;9.12,2.85,;7.6,3.13,;6.56,2.06,;7.01,.55,;4.9,-3.56,;4.09,-5.13,;6.39,-3.25,;7.42,-4.37,;6.97,-5.86,;8.03,-6.98,;9.51,-6.64,;7.53,-8.52,;8.96,-4.04,;9.41,-2.59,;10,-5.13,;11.45,-4.77,;11.9,-3.27,;13.45,-2.92,;13.89,-1.45,;15.42,-1.18,;15.91,.29,;17.43,.59,;14.96,1.43,;12.56,-5.88,;12.12,-7.38,;14.04,-5.51,;15.11,-6.64,;14.7,-8.12,;15.75,-9.23,;17.27,-8.9,;18.36,-10.04,;17.91,-11.48,;16.39,-11.8,;15.32,-10.7,;16.6,-6.26,;17.64,-7.34,;17.03,-4.8,)|
Show InChI InChI=1S/C72H97N21O14S/c1-40(2)60(93-62(99)48(73)30-43-22-24-46(94)25-23-43)70(107)88-52(26-29-108-3)63(100)83-38-58(95)85-56(34-45-37-79-39-84-45)68(105)90-54(32-42-16-8-5-9-17-42)66(103)86-51(21-13-28-81-72(77)78)65(102)91-55(33-44-36-82-49-19-11-10-18-47(44)49)67(104)92-57(35-59(96)97)69(106)87-50(20-12-27-80-71(75)76)64(101)89-53(61(74)98)31-41-14-6-4-7-15-41/h4-11,14-19,22-25,36-37,39-40,48,50-57,60,82,94H,12-13,20-21,26-35,38,73H2,1-3H3,(H2,74,98)(H,79,84)(H,83,100)(H,85,95)(H,86,103)(H,87,106)(H,88,107)(H,89,101)(H,90,105)(H,91,102)(H,92,104)(H,93,99)(H,96,97)(H4,75,76,80)(H4,77,78,81)/t48-,50-,51-,52-,53-,54-,55-,56-,57-,60-/m0/s1
UniProtKB/SwissProt

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PubMed
>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