BioLiP

PDB

BioLiP

PDB CCD ID:

P2C

Number of entries in BioLiP:

Chemical formula:

C13 H9 Cl2 N O5

InChI:

InChI=1S/C13H9Cl2NO5/c14-9-5-7(6-10(15)12(9)20-21-19)16-11-4-2-1-3-8(11)13(17)18/h1-6,16,19H,(H,17,18)

InChIKey:

SNAMTVTZDPUVRA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc(c(c1)C(=O)O)Nc2cc(c(c(c2)Cl)OOO)Cl
ACDLabs 10.04	Clc1cc(cc(Cl)c1OOO)Nc2ccccc2C(=O)O
CACTVS 3.341	OOOc1c(Cl)cc(Nc2ccccc2C(O)=O)cc1Cl

Name:

2-[(3,5-DICHLORO-4-TRIOXIDANYLPHENYL)AMINO]BENZOIC ACID;
2-[3,5-DICHLORO-4-(2-{2-[2(2-MERCAPTOETHOXY)ETHOXY]ETHOXY}ETHOXY)PHENYLAMINO]BENZOIC ACID

DrugBank:

DB04756

ZINC:

ZINC000014881299

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).