SEQ2FUN

BioLiP

PDB CCD ID: 5KX
Number of entries in BioLiP: 1
Chemical formula: C3 H3 Cl N2
InChI: InChI=1S/C3H3ClN2/c4-3-5-1-2-6-3/h1-2H,(H,5,6)
InChIKey: OCVXSFKKWXMYPF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cnc([nH]1)Cl
ACDLabs 12.01Clc1nccn1
CACTVS 3.385Clc1[nH]ccn1
Name:2-chloro-1H-imidazole
ChEMBL: CHEMBL64560
ZINC: ZINC000002577855
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).