SEQ2FUN

BioLiP

PDB CCD ID: CPZ
Number of entries in BioLiP: 20
Chemical formula: C9 H7 Cl N2
InChI: InChI=1S/C9H7ClN2/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H,(H,11,12)
InChIKey: DVKIFCXVRCGAEE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04Clc2ccc(c1cncn1)cc2
CACTVS 3.341Clc1ccc(cc1)c2[nH]cnc2
OpenEye OEToolkits 1.5.0c1cc(ccc1c2cnc[nH]2)Cl
Name:4-(4-CHLOROPHENYL)IMIDAZOLE
ChEMBL: CHEMBL1231913
DrugBank: DB02974
ZINC: ZINC000005974211
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).