BioLiP

PDB

BioLiP

PDB CCD ID:

OE1

Number of entries in BioLiP:

Chemical formula:

C19 H23 N3 O2 S

InChI:

InChI=1S/C19H23N3O2S/c1-3-12-22(13-4-2)25(23,24)16-10-11-17-18(14-16)21-19(20-17)15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H,20,21)

InChIKey:

PFITZESRTBQCHT-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCN(CCC)[S](=O)(=O)c1ccc2[nH]c(nc2c1)c3ccccc3
OpenEye OEToolkits 1.7.6	CCCN(CCC)S(=O)(=O)c1ccc2c(c1)nc([nH]2)c3ccccc3

Name:

2-phenyl-N,N-dipropyl-1H-benzimidazole-5-sulfonamide

ZINC:

ZINC000003911250

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).