SEQ2FUN

BioLiP

PDB CCD ID: A13
Number of entries in BioLiP: 1
Chemical formula: C6 H6 F3 N3
InChI: InChI=1S/C6H6F3N3/c1-3-2-4(6(7,8)9)12-5(10)11-3/h2H,1H3,(H2,10,11,12)
InChIKey: CNTCLEOUAMWZGS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04FC(F)(F)c1nc(nc(c1)C)N
CACTVS 3.341Cc1cc(nc(N)n1)C(F)(F)F
OpenEye OEToolkits 1.5.0Cc1cc(nc(n1)N)C(F)(F)F
Name:4-METHYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-AMINE
ChEMBL: CHEMBL504181
ZINC: ZINC000000039502
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).