SEQ2FUN

BioLiP

PDB CCD ID: HQJ
Number of entries in BioLiP: 16
Chemical formula: C9 H7 Cl N2
InChI: InChI=1S/C9H7ClN2/c10-8-3-1-2-7(4-8)9-5-11-6-12-9/h1-6H,(H,11,12)
InChIKey: YAJYVAFOVNSPBQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1cccc(c1)c2c[nH]cn2
ACDLabs 12.01c1(cccc(c1)c2cncn2)Cl
OpenEye OEToolkits 2.0.6c1cc(cc(c1)Cl)c2c[nH]cn2
Name:4-(3-chlorophenyl)-1H-imidazole
ChEMBL: CHEMBL4871575
ZINC: ZINC000039132756
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).