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BioLiP

PDB CCD ID: 5P1
Number of entries in BioLiP: 2
Chemical formula: C14 H9 F3 N2 O2
InChI: InChI=1S/C14H9F3N2O2/c15-14(16,17)13-12(8-1-3-9(20)4-2-8)18-11-6-5-10(21)7-19(11)13/h1-7,20-21H
InChIKey: TYELSYJDLCJDAI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc(cc1)c2nc3ccc(O)cn3c2C(F)(F)F
OpenEye OEToolkits 2.0.4c1cc(ccc1c2c(n3cc(ccc3n2)O)C(F)(F)F)O
Name:2-(4-hydroxyphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridin-6-ol
ZINC: ZINC000584904925
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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