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Ligand

NameCHEMBL3578006
Molecular formulaC49H61N9O8
IUPAC name(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-naphthalen-1-ylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoic acid
Molecular weight904.082
Hydrogen bond acceptor10
Hydrogen bond donor10
XlogP1.4
SynonymsBDBM50089427
Inchi KeyAVRCBPPRBIHPJB-ZWECOIPSSA-N
Inchi IDInChI=1S/C49H61N9O8/c1-29(2)23-38(45(61)58-42(49(65)66)27-43(52)59)55-48(64)41(26-33-28-53-37-21-9-8-19-35(33)37)57-46(62)39(24-30-13-4-3-5-14-30)56-47(63)40(54-44(60)36(51)20-10-11-22-50)25-32-17-12-16-31-15-6-7-18-34(31)32/h3-9,12-19,21,28-29,36,38-42,53H,10-11,20,22-27,50-51H2,1-2H3,(H2,52,59)(H,54,60)(H,55,64)(H,56,63)(H,57,62)(H,58,61)(H,65,66)/t36-,38-,39-,40-,41+,42-/m0/s1
PubChem CID122178177
ChEMBLCHEMBL3578006
IUPHARN/A
BindingDB50089427
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
464785Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366

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