BioLiP

PDB

BioLiP

PDB CCD ID:

ZQG

Number of entries in BioLiP:

Chemical formula:

C6 H11 N3

InChI:

InChI=1S/C6H11N3/c7-3-1-2-6-8-4-5-9-6/h4-5H,1-3,7H2,(H,8,9)

InChIKey:

HQNOODJDSFSURF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cnc([nH]1)CCCN
ACDLabs 12.01	NCCCc1ncc[NH]1
CACTVS 3.385	NCCCc1[nH]ccn1

Name:

3-(1H-imidazol-2-yl)propan-1-amine

ZINC:

ZINC000036912373

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).