BioLiP

PDB

BioLiP

PDB CCD ID:

7HL

Number of entries in BioLiP:

Chemical formula:

C21 H16 Cl N O4

InChI:

InChI=1S/C21H16ClNO4/c22-16-11-9-14(10-12-16)13-27-18-8-4-7-17(21(25)26)19(18)23-20(24)15-5-2-1-3-6-15/h1-12H,13H2,(H,23,24)(H,25,26)

InChIKey:

YSFMDHPNWDFPGO-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c3c(C(Nc1c(cccc1OCc2ccc(cc2)Cl)C(=O)O)=O)cccc3
OpenEye OEToolkits 2.0.6	c1ccc(cc1)C(=O)Nc2c(cccc2OCc3ccc(cc3)Cl)C(=O)O
CACTVS 3.385	OC(=O)c1cccc(OCc2ccc(Cl)cc2)c1NC(=O)c3ccccc3

Name:

2-[(benzenecarbonyl)amino]-3-[(4-chlorophenyl)methoxy]benzoic acid

ChEMBL:

CHEMBL3902813

ZINC:

ZINC000146059095

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).