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BioLiP

PDB CCD ID: 1MA
Number of entries in BioLiP: 0
Chemical formula: C11 H16 N5 O7 P
InChI: InChI=1S/C11H16N5O7P/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3-5,7-8,11-12,17-18H,2H2,1H3,(H2,19,20,21)/b12-9-/t5-,7-,8-,11-/m1/s1
InChIKey: BKBYKEWNXKDACS-JOLDIKRXSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CN1C=Nc2n(cnc2C1=N)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
ACDLabs 12.01P(=O)(O)(O)OCC1OC(C(C1O)O)n2cnc3\C(=N)N(C)C=Nc23
OpenEye OEToolkits 1.7.6[H]/N=C\1/c2c(n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=CN1C
OpenEye OEToolkits 1.7.6CN1C=Nc2c(ncn2C3C(C(C(O3)COP(=O)(O)O)O)O)C1=N
CACTVS 3.385CN1C=Nc2n(cnc2C1=N)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
Name:6-HYDRO-1-METHYLADENOSINE-5'-MONOPHOSPHATE
DrugBank: DB03318
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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