BioLiP

PDB

BioLiP

PDB CCD ID:

A1D49

Number of entries in BioLiP:

Chemical formula:

C19 H20 N4 O2

InChI:

InChI=1S/C19H20N4O2/c1-2-9-25-15-6-3-13(4-7-15)18-11-20-19(24)23(18)14-5-8-16-17(10-14)22-12-21-16/h3-8,10,12,18H,2,9,11H2,1H3,(H,20,24)(H,21,22)/t18-/m1/s1

InChIKey:

XHIKZWOEFZENIX-GOSISDBHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCCOc1ccc(cc1)C2CNC(=O)N2c3ccc4c(c3)[nH]cn4
CACTVS 3.385	CCCOc1ccc(cc1)[CH]2CNC(=O)N2c3ccc4nc[nH]c4c3
CACTVS 3.385	CCCOc1ccc(cc1)[C@H]2CNC(=O)N2c3ccc4nc[nH]c4c3
OpenEye OEToolkits 2.0.7	CCCOc1ccc(cc1)[C@H]2CNC(=O)N2c3ccc4c(c3)[nH]cn4

Name:

(5~{S})-1-(3~{H}-benzimidazol-5-yl)-5-(4-propoxyphenyl)imidazolidin-2-one;
PQ912

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).