SEQ2FUN

BioLiP

PDB CCD ID: V4F
Number of entries in BioLiP: 0
Chemical formula: C12 H13 N2 O6 P
InChI: InChI=1S/C12H13N2O6P/c13-5-7-2-1-3-8-10(20-6-21(17,18)19)4-9(12(15)16)14-11(7)8/h1-4H,5-6,13H2,(H,15,16)(H2,17,18,19)
InChIKey: OQLWCJHMUOMQIW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c2c(c1)c(cc(n2)C(=O)O)OCP(=O)(O)O)CN
CACTVS 3.385NCc1cccc2c(OC[P](O)(O)=O)cc(nc12)C(O)=O
Name:8-(aminomethyl)-4-(phosphonomethoxy)quinoline-2-carboxylic 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).