BioLiP

PDB

BioLiP

PDB CCD ID:

H3D

Number of entries in BioLiP:

Chemical formula:

C15 H19 N O3

InChI:

InChI=1S/C15H19NO3/c1-11(17)16-15(6-2-3-7-15)12-4-5-13-14(10-12)19-9-8-18-13/h4-5,10H,2-3,6-9H2,1H3,(H,16,17)

InChIKey:

RVYUUTVAMYXICP-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)NC1(CCCC1)c2ccc3OCCOc3c2
ACDLabs 12.01	C3C(c1cc2c(cc1)OCCO2)(NC(=O)C)CCC3
OpenEye OEToolkits 2.0.6	CC(=O)NC1(CCCC1)c2ccc3c(c2)OCCO3

Name:

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide

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).