SEQ2FUN

BioLiP

PDB CCD ID: C1M
Number of entries in BioLiP: 1
Chemical formula: C7 H5 Cl N4
InChI: InChI=1S/C7H5ClN4/c8-6-1-3-7(4-2-6)12-5-9-10-11-12/h1-5H
InChIKey: FVXFXVKZUVWQGE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352Clc1ccc(cc1)n2cnnn2
ACDLabs 10.04Clc1ccc(cc1)n2nnnc2
OpenEye OEToolkits 1.6.1c1cc(ccc1n2cnnn2)Cl
Name:1-(4-CHLOROPHENYL)-1H-TETRAZOLE;
INHIBITOR OF THROMBIN
ChEMBL: CHEMBL440394
ZINC: ZINC000000114300
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).