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BioLiP

PDB CCD ID: WG7
Number of entries in BioLiP: 1
Chemical formula: C10 H15 N4 O4 P
InChI: InChI=1S/C10H15N4O4P/c15-10-9-8(13-6-14-10)7(5-12-9)4-11-2-1-3-19(16,17)18/h5-6,11-12H,1-4H2,(H,13,14,15)(H2,16,17,18)
InChIKey: BYPYXSLOGVUHEY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C(CCNCc2cnc1C(NC=Nc12)=O)P(O)(O)=O
OpenEye OEToolkits 2.0.7c1c(c2c([nH]1)C(=O)NC=N2)CNCCCP(=O)(O)O
CACTVS 3.385O[P](O)(=O)CCCNCc1c[nH]c2C(=O)NC=Nc12
Name:(3-{[(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]amino}propyl)phosphonic acid
ChEMBL: CHEMBL2414703
ZINC: ZINC000096282369
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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