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Ligand

NameCHEMBL3144494
Molecular formulaC31H33ClN4O3
IUPAC name(2S)-2-[[(2S)-2-[3-(4-chlorophenyl)propanoylamino]propanoyl]amino]-3-(1H-indol-3-yl)-N-(2-phenylethyl)propanamide
Molecular weight545.08
Hydrogen bond acceptor3
Hydrogen bond donor4
XlogP4.7
SynonymsN/A
Inchi KeyDHNVWAPQMTWJBU-KMRXNPHXSA-N
Inchi IDInChI=1S/C31H33ClN4O3/c1-21(35-29(37)16-13-23-11-14-25(32)15-12-23)30(38)36-28(19-24-20-34-27-10-6-5-9-26(24)27)31(39)33-18-17-22-7-3-2-4-8-22/h2-12,14-15,20-21,28,34H,13,16-19H2,1H3,(H,33,39)(H,35,37)(H,36,38)/t21-,28-/m0/s1
PubChem CID90663961
ChEMBLCHEMBL3144494
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
60170Bombesin receptor subtype-3P32247BRS3Homo sapiens (Human)399

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