SEQ2FUN

BioLiP

PDB CCD ID: 1CI
Number of entries in BioLiP: 8
Chemical formula: C9 H7 Cl N2
InChI: InChI=1S/C9H7ClN2/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H
InChIKey: BARLRKAYTDVUIS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		Clc1ccc(cc1)n2ccnc2
OpenEye OEToolkits 1.5.0c1cc(ccc1n2ccnc2)Cl
Name:1-(4-CHLOROPHENYL)-1H-IMIDAZOLE
ChEMBL: CHEMBL1229718
ZINC: ZINC000000156200
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).