SEQ2FUN

BioLiP

PDB CCD ID: MTR
Number of entries in BioLiP: 0
Chemical formula: C11 H16 N O7 P
InChI: InChI=1S/C11H16NO7P/c1-6-2-7(4-12-11(6)14)9-3-8(13)10(19-9)5-18-20(15,16)17/h2,4,8-10,13H,3,5H2,1H3,(H,12,14)(H2,15,16,17)/t8-,9+,10+/m0/s1
InChIKey: MUWYCJQCZPFLFI-IVZWLZJFSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC1=CC(=CNC1=O)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2
OpenEye OEToolkits 1.5.0CC1=CC(=CNC1=O)C2CC(C(O2)COP(=O)(O)O)O
OpenEye OEToolkits 1.5.0CC1=CC(=CNC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O
ACDLabs 10.04O=P(OCC2OC(C=1C=C(C(=O)NC=1)C)CC2O)(O)O
CACTVS 3.341CC1=CC(=CNC1=O)[C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2
Name:(5-METHYL-6-OXO-1,6-DIHYDRO-PYRIDIN-3-YL)-1,2-DIDEOXY-RIBOFURANOSE-5-MONOPHOSPHATE
DrugBank: DB04060
ZINC: ZINC000012504117
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).