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Ligand

NameCHEMBL76455
Molecular formulaC32H33N3O4
IUPAC name1-benzofuran-2-ylmethyl N-[(2R)-2-(1H-indol-3-ylmethyl)-1-oxo-1-[[(1S)-1-phenylethyl]amino]pentan-2-yl]carbamate
Molecular weight523.633
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP6.3
Synonyms[1-(1H-Indol-3-ylmethyl)-1-(1-phenyl-ethylcarbamoyl)-butyl]-carbamic acid benzofuran-2-ylmethyl ester
BDBM50101414
PD-207746
Inchi KeyACTGOTBFGXZMMT-GHRAFVERSA-N
Inchi IDInChI=1S/C32H33N3O4/c1-3-17-32(19-25-20-33-28-15-9-8-14-27(25)28,30(36)34-22(2)23-11-5-4-6-12-23)35-31(37)38-21-26-18-24-13-7-10-16-29(24)39-26/h4-16,18,20,22,33H,3,17,19,21H2,1-2H3,(H,34,36)(H,35,37)/t22-,32+/m0/s1
PubChem CID11016806
ChEMBLCHEMBL76455
IUPHARN/A
BindingDB50101414
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis 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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
1889Substance-P receptorP25103TACR1Homo sapiens (Human)407

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