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BioLiP

PDB CCD ID: 6MD
Number of entries in BioLiP: 14
Chemical formula: C11 H15 N5 O4
InChI: InChI=1S/C11H15N5O4/c1-12-9-6-10(14-3-13-9)16(4-15-6)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11,17-19H,2H2,1H3,(H,12,13,14)/t5-,7-,8-,11-/m1/s1
InChIKey: VQAYFKKCNSOZKM-IOSLPCCCSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)NC
CACTVS 3.385CNc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6CNc1c2c(ncn1)n(cn2)C3C(C(C(O3)CO)O)O
OpenEye OEToolkits 1.7.6CNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
CACTVS 3.385CNc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O
Name:N-methyladenosine
ChEMBL: CHEMBL383144
ZINC: ZINC000004245632
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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