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BioLiP

PDB CCD ID: PW7
Number of entries in BioLiP: 4
Chemical formula: C5 H4 F3 N3
InChI: InChI=1S/C5H4F3N3/c6-5(7,8)3-1-2-10-4(9)11-3/h1-2H,(H2,9,10,11)
InChIKey: NKOTXYPTXKUCDL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Nc1nc(ccn1)C(F)(F)F
OpenEye OEToolkits 2.0.6c1cnc(nc1C(F)(F)F)N
CACTVS 3.385Nc1nccc(n1)C(F)(F)F
Name:4-(trifluoromethyl)pyrimidin-2-amine
ZINC: ZINC000001023366
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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