SEQ2FUN

BioLiP

PDB CCD ID: DMW
Number of entries in BioLiP: 2
Chemical formula: C12 H10 O2
InChI: InChI=1S/C12H10O2/c1-7-8(2)12(14)10-6-4-3-5-9(10)11(7)13/h3-6H,1-2H3
InChIKey: LGFDNUSAWCHVJN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC1=C(C)C(=O)c2ccccc2C1=O
ACDLabs 10.04O=C2c1c(cccc1)C(=O)C(=C2C)C
OpenEye OEToolkits 1.5.0CC1=C(C(=O)c2ccccc2C1=O)C
Name:2,3-DIMETHYL-1,4-NAPHTHOQUINONE
ChEMBL: CHEMBL354201
DrugBank: DB07669
ZINC: ZINC000003063275
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).