BioLiP

PDB

BioLiP

PDB CCD ID:

QGZ

Number of entries in BioLiP:

Chemical formula:

C19 H17 N3 O4 S

InChI:

InChI=1S/C19H17N3O4S/c23-19(24)17-12-20-22(18(17)13-9-10-13)15-6-4-5-14(11-15)21-27(25,26)16-7-2-1-3-8-16/h1-8,11-13,21H,9-10H2,(H,23,24)

InChIKey:

IDKJYWWTGIDTLE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)c1cnn(c2cccc(N[S](=O)(=O)c3ccccc3)c2)c1C4CC4
OpenEye OEToolkits 2.0.7	c1ccc(cc1)S(=O)(=O)Nc2cccc(c2)n3c(c(cn3)C(=O)O)C4CC4

Name:

5-cyclopropyl-1-[3-(phenylsulfonylamino)phenyl]pyrazole-4-carboxylic acid

ChEMBL:

CHEMBL4865680

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).