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BioLiP

PDB CCD ID: IWP
Number of entries in BioLiP: 1
Chemical formula: C17 H11 F2 N5 O2
InChI: InChI=1S/C17H11F2N5O2/c18-11-4-2-1-3-10(11)9-24-15(13-5-6-26-23-13)7-14(22-24)16-20-8-12(19)17(25)21-16/h1-8H,9H2,(H,20,21,25)
InChIKey: LIVYVCAUBHXIMI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01
OpenEye OEToolkits 2.0.7		c1ccc(c(c1)Cn2c(cc(n2)c3ncc(c(n3)O)F)c4ccon4)F
CACTVS 3.385Oc1nc(ncc1F)c2cc(n(Cc3ccccc3F)n2)c4ccon4
Name:5-fluoro-2-{1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)-1H-pyrazol-3-yl}pyrimidin-4-ol
ChEMBL: CHEMBL3809730
ZINC: ZINC000113393563
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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