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Ligand

NameCHEMBL3798559
Molecular formulaC48H62N10O5
IUPAC name(2S)-2-acetamido-N-[(2S)-1-[[(1R)-1-[5-[(1R)-1-[(2-amino-2-methylpropanoyl)amino]-2-(1H-indol-3-yl)ethyl]-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]-2-(1H-indol-3-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide
Molecular weight859.089
Hydrogen bond acceptor8
Hydrogen bond donor7
XlogP5.3
SynonymsBDBM50165586
Inchi KeyBASVUWGQSJKBPF-GLGKVNTQSA-N
Inchi IDInChI=1S/C48H62N10O5/c1-28(2)21-41(52-30(5)59)45(60)54-42(22-29(3)4)46(61)53-39(23-32-25-50-37-15-11-9-13-35(32)37)43-56-57-44(58(43)27-31-17-19-34(63-8)20-18-31)40(55-47(62)48(6,7)49)24-33-26-51-38-16-12-10-14-36(33)38/h9-20,25-26,28-29,39-42,50-51H,21-24,27,49H2,1-8H3,(H,52,59)(H,53,61)(H,54,60)(H,55,62)/t39-,40-,41+,42+/m1/s1
PubChem CID127047525
ChEMBLCHEMBL3798559
IUPHARN/A
BindingDB50165586
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.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
522034Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366

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