BioLiP

PDB

BioLiP

PDB CCD ID:

A1EEQ

Number of entries in BioLiP:

Chemical formula:

C18 H13 Cl2 N3 O4 S

InChI:

InChI=1S/C18H13Cl2N3O4S/c19-12-6-7-15(14(20)10-12)22-17-16(5-2-8-21-17)28(26,27)23-13-4-1-3-11(9-13)18(24)25/h1-10,23H,(H,21,22)(H,24,25)

InChIKey:

VNAUTIHXPAFTLF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)NS(=O)(=O)c2cccnc2Nc3ccc(cc3Cl)Cl)C(=O)O
CACTVS 3.385	OC(=O)c1cccc(N[S](=O)(=O)c2cccnc2Nc3ccc(Cl)cc3Cl)c1

Name:

3-[[2-[(2,4-dichlorophenyl)amino]pyridin-3-yl]sulfonylamino]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).