SEQ2FUN

BioLiP

PDB CCD ID: GF6
Number of entries in BioLiP: 1
Chemical formula: C8 H7 F3 N2 O
InChI: InChI=1S/C8H7F3N2O/c9-8(10,11)5-2-1-3-6(4-5)13-7(12)14/h1-4H,(H3,12,13,14)
InChIKey: FQEIBEOBXKJAMZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(cc(c1)NC(=O)N)C(F)(F)F
CACTVS 3.385NC(=O)Nc1cccc(c1)C(F)(F)F
Name:1-[3-(trifluoromethyl)phenyl]urea
ChEMBL: CHEMBL1338939
ZINC: ZINC000001232422
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).