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Ligand

NameCHEMBL405335
Molecular formulaC52H74N16O9
IUPAC name(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-6-aminohexanoyl]-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]pyrrolidine-2-carboxamide
Molecular weight1067.27
Hydrogen bond acceptor12
Hydrogen bond donor13
XlogP-0.4
SynonymsBDBM50100755
Ac-His-DPhe-Arg-Trp-Gly-Lys-Pro-Val-NH2
Inchi KeyCZJLEWKLJVYQIZ-NTACYJAKSA-N
Inchi IDInChI=1S/C52H74N16O9/c1-30(2)44(45(54)71)67-50(76)42-19-12-22-68(42)51(77)38(17-9-10-20-53)63-43(70)28-60-46(72)40(24-33-26-59-36-16-8-7-15-35(33)36)66-47(73)37(18-11-21-58-52(55)56)64-48(74)39(23-32-13-5-4-6-14-32)65-49(75)41(62-31(3)69)25-34-27-57-29-61-34/h4-8,13-16,26-27,29-30,37-42,44,59H,9-12,17-25,28,53H2,1-3H3,(H2,54,71)(H,57,61)(H,60,72)(H,62,69)(H,63,70)(H,64,74)(H,65,75)(H,66,73)(H,67,76)(H4,55,56,58)/t37-,38-,39+,40-,41-,42-,44-/m0/s1
PubChem CID10898423
ChEMBLCHEMBL405335
IUPHARN/A
BindingDB50100755
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
54365Melanocortin receptor 3P33033Mc3rMus musculus (Mouse)323
54367Melanocortin receptor 4P56450Mc4rMus musculus (Mouse)332
54368Melanocortin receptor 5P41149Mc5rMus musculus (Mouse)325
54366Melanocyte-stimulating hormone receptorQ01727Mc1rMus musculus (Mouse)315

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