BioLiP

PDB

BioLiP

PDB CCD ID:

P6N

Number of entries in BioLiP:

Chemical formula:

C11 H12 O

InChI:

InChI=1S/C11H12O/c1-8-6-7-9-4-2-3-5-10(9)11(8)12/h2-5,8H,6-7H2,1H3/t8-/m0/s1

InChIKey:

GANIBVZSZGNMNB-QMMMGPOBSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[CH]1CCc2ccccc2C1=O
OpenEye OEToolkits 2.0.7	CC1CCc2ccccc2C1=O
CACTVS 3.385 OpenEye OEToolkits 2.0.7	C[C@H]1CCc2ccccc2C1=O

Name:

(2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one

ZINC:

ZINC000003861252

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).