BioLiP

PDB

BioLiP

PDB CCD ID:

W6B

Number of entries in BioLiP:

Chemical formula:

C19 H13 Cl F N O2

InChI:

InChI=1S/C19H13ClFNO2/c20-15-7-4-8-17(18(15)12-5-2-1-3-6-12)22-16-10-9-13(21)11-14(16)19(23)24/h1-11,22H,(H,23,24)

InChIKey:

SQBLSUWMJNVDPR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2c(cccc2Cl)Nc3ccc(cc3C(=O)O)F
CACTVS 3.385	OC(=O)c1cc(F)ccc1Nc2cccc(Cl)c2c3ccccc3

Name:

2-[(3-chloranyl-2-phenyl-phenyl)amino]-5-fluoranyl-benzoic acid

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).