SEQ2FUN

BioLiP

PDB CCD ID: A1A22
Number of entries in BioLiP: 1
Chemical formula: C14 H15 F N O4 P
InChI: InChI=1S/C14H15FNO4P/c1-16-13-6-10(8-2-3-8)12(15)5-11(13)9(4-14(16)17)7-21(18,19)20/h4-6,8H,2-3,7H2,1H3,(H2,18,19,20)
InChIKey: LWVVYRFECQFPGI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN1c2cc(c(cc2C(=CC1=O)CP(=O)(O)O)F)C3CC3
CACTVS 3.385CN1C(=O)C=C(C[P](O)(O)=O)c2cc(F)c(cc12)C3CC3
ACDLabs 14.52O=P(O)(O)CC1=CC(=O)N(C)c2cc(c(F)cc21)C1CC1
Name:[(7-cyclopropyl-6-fluoro-1-methyl-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).