BioLiP

PDB

BioLiP

PDB CCD ID:

ZJF

Number of entries in BioLiP:

Chemical formula:

C15 H17 N3 O2

InChI:

InChI=1S/C15H17N3O2/c19-13-7-3-6-12(8-13)18-9-14(16-10-18)15(20)17-11-4-1-2-5-11/h3,6-11,19H,1-2,4-5H2,(H,17,20)

InChIKey:

AQKIQKNFSLFVDF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Oc1cccc(c1)n2cnc(c2)C(=O)NC3CCCC3
OpenEye OEToolkits 2.0.7	c1cc(cc(c1)O)n2cc(nc2)C(=O)NC3CCCC3

Name:

~{N}-cyclopentyl-1-(3-hydroxyphenyl)imidazole-4-carboxamide

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).