BioLiP

PDB

BioLiP

PDB CCD ID:

72G

Number of entries in BioLiP:

Chemical formula:

C13 H11 N O3 S

InChI:

InChI=1S/C13H11NO3S/c14-18(16,17)13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-15/h1-9H,(H2,14,16,17)

InChIKey:

JBAOMUKVIWMCLG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.5	c1cc(cc(c1)c2ccc(cc2)S(=O)(=O)N)C=O
CACTVS 3.385	N[S](=O)(=O)c1ccc(cc1)c2cccc(C=O)c2
ACDLabs 12.01	O=Cc1cc(ccc1)c2ccc(S(=O)(=O)N)cc2

Name:

4-(3-formylphenyl)-benzenesulfonamide;
3'-formyl[1,1'-biphenyl]-4-sulfonamide

ChEMBL:

CHEMBL3765495

ZINC:

ZINC000584905063

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).