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BioLiP

PDB CCD ID: 5NT
Number of entries in BioLiP: 1
Chemical formula: C11 H15 N5 O3
InChI: InChI=1S/C11H15N5O3/c12-11-15-8-5(2-13-9(8)10(19)16-11)7-6(18)1-4(3-17)14-7/h2,4,6-7,13-14,17-18H,1,3H2,(H3,12,15,16,19)/t4-,6+,7-/m0/s1
InChIKey: ZIWDWRULEXWPGT-JHYUDYDFSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC1=Nc2c(c[nH]c2C(=O)N1)[C@@H]3N[C@H](CO)C[C@H]3O
OpenEye OEToolkits 2.0.4c1c(c2c([nH]1)C(=O)NC(=N2)N)[C@H]3[C@@H](C[C@H](N3)CO)O
OpenEye OEToolkits 2.0.4c1c(c2c([nH]1)C(=O)NC(=N2)N)C3C(CC(N3)CO)O
CACTVS 3.385NC1=Nc2c(c[nH]c2C(=O)N1)[CH]3N[CH](CO)C[CH]3O
Name:2-azanyl-7-[(2~{S},3~{R},5~{S})-5-(hydroxymethyl)-3-oxidanyl-pyrrolidin-2-yl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
ZINC: ZINC000584905061
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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