BioLiP

PDB

BioLiP

PDB CCD ID:

VGN

Number of entries in BioLiP:

Chemical formula:

C21 H17 N O3

InChI:

InChI=1S/C21H17NO3/c1-14(23)22-20-12-11-18(13-19(20)21(24)25)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,22,23)(H,24,25)

InChIKey:

XXPKIBVYLUEVCV-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(O)c3cc(c2ccc(c1ccccc1)cc2)ccc3NC(=O)C
CACTVS 3.352	CC(=O)Nc1ccc(cc1C(O)=O)c2ccc(cc2)c3ccccc3
OpenEye OEToolkits 1.6.1	CC(=O)Nc1ccc(cc1C(=O)O)c2ccc(cc2)c3ccccc3

Name:

2-ACETAMIDO-5-(4-PHENYLPHENYL)BENZOIC ACID

ZINC:

ZINC000058649673

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).