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BioLiP

PDB CCD ID: 75K
Number of entries in BioLiP: 1
Chemical formula: C8 H7 N O3
InChI: InChI=1S/C8H7NO3/c1-4-3-6-7(8(10)11-4)9-5(2)12-6/h3H,1-2H3
InChIKey: ZJAOWOARDLUNKM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC1=Cc2oc(C)nc2C(=O)O1
OpenEye OEToolkits 1.7.6Cc1nc2c(o1)C=C(OC2=O)C
Name:2,6-DIMETHYL-4H-PYRANO[3,4-D][1,3]OXAZOL-4-ONE
ZINC: ZINC000584905273
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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