BioLiP

PDB

BioLiP

PDB CCD ID:

F2X

Number of entries in BioLiP:

Chemical formula:

C11 H10 O3

InChI:

InChI=1S/C11H10O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-4,6,12H,5H2,1H3/t6-/m1/s1

InChIKey:

ALPCEXCHMFUSAN-ZCFIWIBFSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC1CC(=O)c2c(cccc2O)C1=O
OpenEye OEToolkits 2.0.7	C[C@@H]1CC(=O)c2c(cccc2O)C1=O
CACTVS 3.385	C[C@@H]1CC(=O)c2c(O)cccc2C1=O
CACTVS 3.385	C[CH]1CC(=O)c2c(O)cccc2C1=O

Name:

(2~{R})-2-methyl-5-oxidanyl-2,3-dihydronaphthalene-1,4-dione

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).