SEQ2FUN

BioLiP

PDB CCD ID: ZK8
Number of entries in BioLiP: 8
Chemical formula: C16 H21 N2 O4 P
InChI: InChI=1S/C16H21N2O4P/c1-2-3-4-5-12-23(20,21)22-14-9-7-11-18-16(14)15-13(19)8-6-10-17-15/h6-11,19H,2-5,12H2,1H3,(H,20,21)
InChIKey: QYCWYIQRYAMGGW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCC[P@@](=O)(O)Oc1cccnc1c2c(cccn2)O
CACTVS 3.385CCCCCC[P](O)(=O)Oc1cccnc1c2ncccc2O
OpenEye OEToolkits 2.0.7CCCCCCP(=O)(O)Oc1cccnc1c2c(cccn2)O
Name:hexyl-[2-(3-oxidanylpyridin-2-yl)pyridin-3-yl]oxy-phosphinic 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).