BioLiP

PDB

BioLiP

PDB CCD ID:

84H

Number of entries in BioLiP:

Chemical formula:

C18 H17 N O2

InChI:

InChI=1S/C18H17NO2/c1-21-17-12-18(20)19-16(17)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3,(H,19,20)/t16-/m0/s1

InChIKey:

OKOKOZKDCPHCCP-INIZCTEOSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	COC1=CC(=O)N[C@H]1Cc2ccc(cc2)c3ccccc3
ACDLabs 12.01	O=C1C=C(OC)C(Cc2ccc(cc2)c2ccccc2)N1
OpenEye OEToolkits 2.0.7	COC1=CC(=O)NC1Cc2ccc(cc2)c3ccccc3
CACTVS 3.385	COC1=CC(=O)N[CH]1Cc2ccc(cc2)c3ccccc3

Name:

(5S)-5-[([1,1'-biphenyl]-4-yl)methyl]-4-methoxy-1,5-dihydro-2H-pyrrol-2-one

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).