BioLiP

PDB

BioLiP

PDB CCD ID:

A1JPK

Number of entries in BioLiP:

Chemical formula:

C23 H25 N3 O3

InChI:

InChI=1S/C23H25N3O3/c1-2-29-23(28)18-11-12-20-19(16-18)24-22(17-8-4-3-5-9-17)26(20)15-7-14-25-13-6-10-21(25)27/h3-5,8-9,11-12,16H,2,6-7,10,13-15H2,1H3

InChIKey:

WJYNZMYLZGFWGH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCOC(=O)c1ccc2c(c1)nc(n2CCCN3CCCC3=O)c4ccccc4
CACTVS 3.385	CCOC(=O)c1ccc2n(CCCN3CCCC3=O)c(nc2c1)c4ccccc4

Name:

ethyl 1-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-2-phenyl-benzimidazole-5-carboxylate

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).