SEQ2FUN

BioLiP

PDB CCD ID: FCR
Number of entries in BioLiP: 3
Chemical formula: C7 H5 F3 O
InChI: InChI=1S/C7H5F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H
InChIKey: BAYGVMXZJBFEMB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C(F)(F)F)O
CACTVS 3.341Oc1ccc(cc1)C(F)(F)F
ACDLabs 10.04FC(F)(F)c1ccc(O)cc1
Name:ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL
ChEMBL: CHEMBL539165
DrugBank: DB03610
ZINC: ZINC000001847459
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).