BioLiP

PDB

BioLiP

PDB CCD ID:

520

Number of entries in BioLiP:

Chemical formula:

C19 H16 N2 O3 S

InChI:

InChI=1S/C19H16N2O3S/c20-17-9-5-16(6-10-17)19(22)15-3-1-13(2-4-15)14-7-11-18(12-8-14)25(21,23)24/h1-12H,20H2,(H2,21,23,24)

InChIKey:

XKAQFZLONLOUSN-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1ccc(cc1)C(=O)c2ccc(cc2)c3ccc(cc3)[S](N)(=O)=O
OpenEye OEToolkits 1.9.2	c1cc(ccc1c2ccc(cc2)S(=O)(=O)N)C(=O)c3ccc(cc3)N
ACDLabs 12.01	c1c(ccc(c1)N)C(c2ccc(cc2)c3ccc(S(=O)(=O)N)cc3)=O

Name:

4'-(4-aminobenzoyl)biphenyl-4-sulfonamide

ChEMBL:

CHEMBL3632844

ZINC:

ZINC000263621222

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).