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Ligand

NameCHEMBL291868
Molecular formulaC31H31N3O4S
IUPAC name(4R)-1-(1-benzothiophene-2-carbonyl)-N-[(2R)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-4-hydroxypyrrolidine-2-carboxamide
Molecular weight541.666
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.6
SynonymsBDBM50030198
(R)-1-(Benzo[b]thiophene-2-carbonyl)-4-hydroxy-pyrrolidine-2-carboxylic acid [(R)-1-(benzyl-methyl-carbamoyl)-2-phenyl-ethyl]-amide
Inchi KeyASZUNVYZNVUWFW-YFHSQZFMSA-N
Inchi IDInChI=1S/C31H31N3O4S/c1-33(19-22-12-6-3-7-13-22)30(37)25(16-21-10-4-2-5-11-21)32-29(36)26-18-24(35)20-34(26)31(38)28-17-23-14-8-9-15-27(23)39-28/h2-15,17,24-26,35H,16,18-20H2,1H3,(H,32,36)/t24-,25-,26?/m1/s1
PubChem CID44305927
ChEMBLCHEMBL291868
IUPHARN/A
BindingDB50030198
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
13756Substance-P receptorP30547TACR1Cavia porcellus (Guinea pig)407

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