SEQ2FUN

BioLiP

PDB CCD ID: 0OI
Number of entries in BioLiP: 1
Chemical formula: C8 H9 F N2 O
InChI: InChI=1S/C8H9FN2O/c1-10-8(12)11-7-5-3-2-4-6(7)9/h2-5H,1H3,(H2,10,11,12)
InChIKey: KCHHKGGVOQEHPF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CNC(=O)Nc1ccccc1F
ACDLabs 12.01O=C(Nc1ccccc1F)NC
Name:N-(2-fluorophenyl)-N'-methylurea
ChEMBL: CHEMBL1303837
ZINC: ZINC000000039688
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).