BioLiP

PDB

BioLiP

PDB CCD ID:

GH6

Number of entries in BioLiP:

Chemical formula:

C19 H14 Cl2 N2 O3

InChI:

InChI=1S/C19H14Cl2N2O3/c20-14-8-9-15(26-11-12-5-2-1-3-6-12)16(21)17(14)23-18-13(19(24)25)7-4-10-22-18/h1-10H,11H2,(H,22,23)(H,24,25)

InChIKey:

AYGDOYFDJDUPSS-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)COc2ccc(c(c2Cl)Nc3c(cccn3)C(=O)O)Cl
CACTVS 3.385	OC(=O)c1cccnc1Nc2c(Cl)ccc(OCc3ccccc3)c2Cl

Name:

2-[[2,6-bis(chloranyl)-3-phenylmethoxy-phenyl]amino]pyridine-3-carboxylic acid

ChEMBL:

CHEMBL5951236

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).