BioLiP

PDB

BioLiP

PDB CCD ID:

OH7

Number of entries in BioLiP:

Chemical formula:

C10 H17 N3 O2

InChI:

InChI=1S/C10H17N3O2/c1-8(15)11-5-3-2-4-10-12-6-9(7-14)13-10/h6,14H,2-5,7H2,1H3,(H,11,15)(H,12,13)

InChIKey:

RGIIKOKBGRWBCV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)NCCCCc1[nH]cc(CO)n1
OpenEye OEToolkits 2.0.7	CC(=O)NCCCCc1[nH]cc(n1)CO
ACDLabs 12.01	C(NC(C)=O)CCCc1ncc(CO)n1

Name:

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

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).