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BioLiP

PDB CCD ID: 52C
Number of entries in BioLiP: 4
Chemical formula: C7 H5 Cl N4
InChI: InChI=1S/C7H5ClN4/c8-6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4H,(H,9,10,11,12)
InChIKey: PSUIIKIEUATWCZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1ccccc1c2[nH]nnn2
ACDLabs 12.01Clc1ccccc1c2nnnn2
OpenEye OEToolkits 1.9.2c1ccc(c(c1)c2[nH]nnn2)Cl
Name:5-(2-CHLOROPHENYL)-1H-TETRAZOLE
ChEMBL: CHEMBL486329
ZINC: ZINC000000335259
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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