SEQ2FUN

BioLiP

PDB CCD ID: ES9
Number of entries in BioLiP: 2
Chemical formula: C7 H5 Cl N2
InChI: InChI=1S/C7H5ClN2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H,(H,9,10)
InChIKey: NKLOLMQJDLMZRE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352Clc1ccc2[nH]cnc2c1
OpenEye OEToolkits 1.7.0c1cc2c(cc1Cl)nc[nH]2
Name:5-chloro-1H-benzimidazole
ChEMBL: CHEMBL69098
ZINC: ZINC000005425423
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).