BioLiP

PDB

BioLiP

PDB CCD ID:

5XD

Number of entries in BioLiP:

Chemical formula:

C18 H21 N3 O4 S

InChI:

InChI=1S/C18H21N3O4S/c1-5-12-6-8-13(9-7-12)26(23,24)19-14-10-15-16(11-17(14)25-4)21(3)18(22)20(15)2/h6-11,19H,5H2,1-4H3

InChIKey:

XTMAUXGMXOOESO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	CCc1ccc(cc1)S(=O)(=O)Nc2cc3c(cc2OC)N(C(=O)N3C)C
CACTVS 3.385	CCc1ccc(cc1)[S](=O)(=O)Nc2cc3N(C)C(=O)N(C)c3cc2OC

Name:

4-ethyl-~{N}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)benzenesulfonamide

ZINC:

ZINC000021042552

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).