SEQ2FUN

BioLiP

PDB CCD ID: A1B7Y
Number of entries in BioLiP: 2
Chemical formula: C13 H13 F N O4 P
InChI: InChI=1S/C13H13FNO4P/c14-11-4-10-8(6-20(17,18)19)3-13(16)15-12(10)5-9(11)7-1-2-7/h3-5,7H,1-2,6H2,(H,15,16)(H2,17,18,19)
InChIKey: OFZWLVDWEQDHFM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 3.1.0.0c1c(c(cc2c1NC(=O)C=C2CP(=O)(O)O)F)C3CC3
ACDLabs 14.52O=P(O)(O)CC1=CC(=O)Nc2cc(c(F)cc21)C1CC1
CACTVS 3.385O[P](O)(=O)CC1=CC(=O)Nc2cc(C3CC3)c(F)cc12
Name:[(7-cyclopropyl-6-fluoro-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid
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).