BioLiP

PDB

BioLiP

PDB CCD ID:

OJG

Number of entries in BioLiP:

Chemical formula:

C16 H21 N3 O2

InChI:

InChI=1S/C16H21N3O2/c20-12-14-11-18-15(19-14)8-4-5-9-17-16(21)10-13-6-2-1-3-7-13/h1-3,6-7,11,20H,4-5,8-10,12H2,(H,17,21)(H,18,19)

InChIKey:

NWJHGXOXPDGAJH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CC(=O)NCCCCc2[nH]c(cn2)CO
ACDLabs 12.01	C(CNC(=O)Cc1ccccc1)CCc2ncc(CO)n2
CACTVS 3.385	OCc1[nH]c(CCCCNC(=O)Cc2ccccc2)nc1

Name:

N-{4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}-2-phenylacetamide

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).