SEQ2FUN

BioLiP

PDB CCD ID: MP5
Number of entries in BioLiP: 3
Chemical formula: C6 H10 N3 O4 P
InChI: InChI=1S/C6H10N3O4P/c1-4-8-2-5(6(7)9-4)3-13-14(10,11)12/h2H,3H2,1H3,(H2,7,8,9)(H2,10,11,12)
InChIKey: PKYFHKIYHBRTPI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0Cc1ncc(c(n1)N)COP(=O)(O)O
CACTVS 3.341Cc1ncc(CO[P](O)(O)=O)c(N)n1
ACDLabs 10.04O=P(O)(O)OCc1cnc(nc1N)C
Name:(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL DIHYDROGEN PHOSPHATE
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).