BioLiP

PDB

BioLiP

PDB CCD ID:

OH1

Number of entries in BioLiP:

Chemical formula:

C15 H19 N3 O2

InChI:

InChI=1S/C15H19N3O2/c19-11-13-10-17-14(18-13)8-4-5-9-16-15(20)12-6-2-1-3-7-12/h1-3,6-7,10,19H,4-5,8-9,11H2,(H,16,20)(H,17,18)

InChIKey:

JCUWYBMNDMMIAC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C(=O)NCCCCc2[nH]cc(n2)CO
CACTVS 3.385	OCc1c[nH]c(CCCCNC(=O)c2ccccc2)n1
ACDLabs 12.01	C(NC(c1ccccc1)=O)CCCc2ncc(CO)n2

Name:

N-{4-[4-(hydroxymethyl)-1H-imidazol-2-yl]butyl}benzamide

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).