SEQ2FUN

BioLiP

PDB CCD ID: HF1
Number of entries in BioLiP: 1
Chemical formula: C10 H12 F O4 P S
InChI: InChI=1S/C10H12FO4PS/c11-8-3-4-9(12)10(7-8)17-6-2-1-5-16(13,14)15/h1,3-5,7,12H,2,6H2,(H2,13,14,15)/b5-1+
InChIKey: UXOYJQMPYTYCMG-ORCRQEGFSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Oc1ccc(F)cc1SCCC=C[P](O)(O)=O
OpenEye OEToolkits 1.5.0c1cc(c(cc1F)SCCC=CP(=O)(O)O)O
ACDLabs 10.04Fc1cc(SCC/C=C/P(=O)(O)O)c(O)cc1
CACTVS 3.341Oc1ccc(F)cc1SCC\C=C\[P](O)(O)=O
Name:4-(2-HYDROXY-4-FLUOROPHENYLTHIO)-BUTYLPHOSPHONIC ACID
DrugBank: DB07894
ZINC: ZINC000003870978
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).