SEQ2FUN

BioLiP

PDB CCD ID: TZY
Number of entries in BioLiP: 1
Chemical formula: C18 H15 F N4 O
InChI: InChI=1S/C18H15FN4O/c1-11(2)18-22-21-15-8-5-13(9-23(15)18)17-16(20-10-24-17)12-3-6-14(19)7-4-12/h3-11H,1-2H3
InChIKey: OVCXRBARSPBVMC-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC(C)c1nnc2ccc(cn12)c3ocnc3c4ccc(F)cc4
OpenEye OEToolkits 1.5.0CC(C)c1nnc2n1cc(cc2)c3c(nco3)c4ccc(cc4)F
ACDLabs 10.04Fc4ccc(c1ncoc1c3ccc2nnc(n2c3)C(C)C)cc4
Name:6-[4-(4-FLUOROPHENYL)-1,3-OXAZOL-5-YL]-3-ISOPROPYL[1,2,4]TRIAZOLO[4,3-A]PYRIDINE;
TRIAZOLOPYRIDINE
ChEMBL: CHEMBL194322
DrugBank: DB04797
ZINC: ZINC000001491604
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).