BioLiP

PDB

BioLiP

PDB CCD ID:

A1BUA

Number of entries in BioLiP:

Chemical formula:

C14 H20 N2 O2

InChI:

InChI=1S/C14H20N2O2/c1-10-13(11(2)18-16-10)14(17)15-9-8-12-6-4-3-5-7-12/h6H,3-5,7-9H2,1-2H3,(H,15,17)

InChIKey:

CDMDKICUIFSGRO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1onc(C)c1C(=O)NCCC2=CCCCC2
OpenEye OEToolkits 3.1.0.0	Cc1c(c(on1)C)C(=O)NCCC2=CCCCC2
ACDLabs 14.52	Cc1onc(C)c1C(=O)NCCC1=CCCCC1

Name:

N-[2-(cyclohex-1-en-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

ChEMBL:

CHEMBL1374001

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).