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BioLiP Library

PDB CCD ID: C82
Number of entries in BioLiP: 2
Chemical formula: C8 H7 Cl N4
InChI: InChI=1S/C8H7ClN4/c9-6-1-3-7(4-2-6)11-8-5-10-13-12-8/h1-5H,(H2,10,11,12,13)
InChIKey: IUTZKZLVPUPHDA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1Nc2cnn[nH]2)Cl
CACTVS 3.385Clc1ccc(Nc2[nH]nnc2)cc1
Name:~{N}-(4-chlorophenyl)-1~{H}-1,2,3-triazol-5-amine
ChEMBL: CHEMBL4443463
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)(download the PDF file).
  • 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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