SEQ2FUN

BioLiP

PDB CCD ID: JJ8
Number of entries in BioLiP: 2
Chemical formula: C10 H8 Cl2 N2
InChI: InChI=1S/C10H8Cl2N2/c11-9-2-1-8(5-10(9)12)6-14-4-3-13-7-14/h1-5,7H,6H2
InChIKey: AYZFQKPOALRPNQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c(cc1Cn2ccnc2)Cl)Cl
CACTVS 3.385Clc1ccc(Cn2ccnc2)cc1Cl
Name:1-[(3,4-dichlorophenyl)methyl]imidazole
ChEMBL: CHEMBL379436
ZINC: ZINC000004385934
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).