BioLiP

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●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

BioLiP

PDB

BioLiP

PDB CCD ID:

70V

Number of entries in BioLiP:

Chemical formula:

C7 H10 O2

InChI:

InChI=1S/C7H10O2/c1-5-6(8)3-2-4-7(5)9/h5H,2-4H2,1H3

InChIKey:

VSGJHHIAMHUZKF-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	CC1C(CCCC1=O)=O
CACTVS 3.385 OpenEye OEToolkits 2.0.5	CC1C(=O)CCCC1=O

Name:

2-methylcyclohexane-1,3-dione

ChEMBL:

CHEMBL191688

ZINC:

ZINC000100001009

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)(download the PDF file).

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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