SEQ2FUN

BioLiP

PDB CCD ID: B7C
Number of entries in BioLiP: 0
Chemical formula: C12 H16 N3 O7 P
InChI: InChI=1S/C12H16N3O7P/c16-8-4-10(22-9(8)6-21-23(18,19)20)15-5-7-2-1-3-13-11(7)14-12(15)17/h1-2,5,8-10,16H,3-4,6H2,(H,13,14,17)(H2,18,19,20)/t8-,9+,10+/m0/s1
InChIKey: TVIUKNIUQVYWKE-IVZWLZJFSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C=CC2=CN(C(=O)N=C2N1)C3CC(C(O3)COP(=O)(O)O)O
ACDLabs 10.04O=C1N=C3C(=CN1C2OC(C(O)C2)COP(=O)(O)O)C=CCN3
CACTVS 3.341O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=C3C=CCNC3=NC2=O
CACTVS 3.341O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=C3C=CCNC3=NC2=O
OpenEye OEToolkits 1.5.0C1C=CC2=CN(C(=O)N=C2N1)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O
Name:3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-7,8-dihydropyrido[2,3-d]pyrimidin-2(3H)-one
ZINC: ZINC000058638357
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).