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BioLiP

PDB CCD ID: P0C
Number of entries in BioLiP: 1
Chemical formula: C12 H15 N3 O5
InChI: InChI=1S/C12H15N3O5/c1-5-2-6-3-15(12(19)14-10(6)13-5)11-9(18)8(17)7(4-16)20-11/h2-3,7-9,11,16-18H,4H2,1H3,(H,13,14,19)/t7-,8-,9-,11-/m1/s1
InChIKey: GCNYJWODKQPZDE-TURQNECASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CC1=CC2=CN(C(=O)N=C2N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
CACTVS 3.385CC1=CC2=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C(=O)N=C2N1
CACTVS 3.385CC1=CC2=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C(=O)N=C2N1
ACDLabs 12.01O=C1N=C3C(=CN1C2OC(C(O)C2O)CO)C=C(N3)C
OpenEye OEToolkits 1.9.2CC1=CC2=CN(C(=O)N=C2N1)C3C(C(C(O3)CO)O)O
Name:6-methyl-3-(beta-D-ribofuranosyl)-3,7-dihydro-2H-pyrrolo[2,3-d]pyrimidin-2-one;
6-Methyl-3-(beta-D-2-ribofuranosyl)pyrrolo[2,3-d] pyrimidin-2-one
ZINC: ZINC000043771839
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)(download the PDF file).
  • 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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