BioLiP

PDB

BioLiP

PDB CCD ID:

943

Number of entries in BioLiP:

Chemical formula:

C18 H12 Cl2 N2 O2

InChI:

InChI=1S/C18H12Cl2N2O2/c19-14-9-12(11-5-7-21-8-6-11)10-15(20)17(14)22-16-4-2-1-3-13(16)18(23)24/h1-10,22H,(H,23,24)

InChIKey:

GSNZPZDSMBVGPU-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)C(=O)O)Nc2c(cc(cc2Cl)c3ccncc3)Cl
CACTVS 3.385	OC(=O)c1ccccc1Nc2c(Cl)cc(cc2Cl)c3ccncc3

Name:

2-[[2,6-bis(chloranyl)-4-pyridin-4-yl-phenyl]amino]benzoic acid

ChEMBL:

CHEMBL4521076

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).