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BioLiP

PDB CCD ID: P2P
Number of entries in BioLiP: 1
Chemical formula: C10 H13 N4 O8 P
InChI: InChI=1S/C10H13N4O8P/c15-6-5(2-21-23(18,19)20)22-9(7(6)16)14-3-12-8-4(14)1-11-10(17)13-8/h1,3,5-7,9,15-16H,2H2,(H,11,13,17)(H2,18,19,20)/t5-,6-,7-,9+/m1/s1
InChIKey: BVZASCINAVSQNO-PULFBKJNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c2c(ncn2C3C(C(C(O3)COP(=O)(O)O)O)O)nc(n1)O
CACTVS 3.341O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3nc(O)ncc23
CACTVS 3.341O[C@H]1[C@@H](O)[C@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3nc(O)ncc23
OpenEye OEToolkits 1.5.0c1c2c(ncn2[C@@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)nc(n1)O
ACDLabs 10.04O=P(O)(O)OCC3OC(n2cnc1nc(O)ncc12)C(O)C3O
Name:N7-(5'-PHOSPHO-ALPHA-RIBOSYL)-2-HYDROXYPURINE;
PHOSPHORIC ACID MONO-[3,4-DIHYDROXY-5-(5-HYDROXY-BENZOIMIDAZOL-1-YL)TETRAHYDRO-FURAN-2-YLMETHYL] ESTER
DrugBank: DB02905
ZINC: ZINC000012502817
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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