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BioLiP

PDB CCD ID: 63Z
Number of entries in BioLiP: 1
Chemical formula: C10 H7 Cl F3 N3 O
InChI: InChI=1S/C10H7ClF3N3O/c11-9-2-1-7(3-8(9)10(12,13)14)17-4-6(5-18)15-16-17/h1-4,18H,5H2
InChIKey: MTSIIXPDVHCKBB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c(cc1n2cc(nn2)CO)C(F)(F)F)Cl
CACTVS 3.385OCc1cn(nn1)c2ccc(Cl)c(c2)C(F)(F)F
Name:[1-[4-chloranyl-3-(trifluoromethyl)phenyl]-1,2,3-triazol-4-yl]methanol;
(1-(4-Chloro-3-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)methanol
ChEMBL: CHEMBL5184800
ZINC: ZINC000052221164
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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