BioLiP

PDB

BioLiP

PDB CCD ID:

1QB

Number of entries in BioLiP:

Chemical formula:

C11 H13 N O

InChI:

InChI=1S/C11H13NO/c1-8(13)12-11-6-5-9-3-2-4-10(9)7-11/h2-3,6H,4-5,7H2,1H3,(H,12,13)

InChIKey:

KSMIDXVYBNGOED-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	CC(=O)NC1=CCC2=C(CC=C2)C1
OpenEye OEToolkits 1.7.6	CC(=O)NC1=CCC2=C(C1)CC=C2
ACDLabs 12.01	O=C(NC2=CCC=1C=CCC=1C2)C

Name:

N-(4,7-dihydro-1H-inden-6-yl)acetamide

ZINC:

ZINC000095920953

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).