BioLiP

PDB

BioLiP

PDB CCD ID:

8AK

Number of entries in BioLiP:

Chemical formula:

C11 H16 N2 O2

InChI:

InChI=1S/C11H16N2O2/c1-7(2)13(9-4-5-9)11(14)10-6-8(3)15-12-10/h6-7,9H,4-5H2,1-3H3

InChIKey:

KOQGLXMVOJEOLV-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Cc1cc(no1)C(=O)N(C1CC1)C(C)C
OpenEye OEToolkits 2.0.7	Cc1cc(no1)C(=O)N(C2CC2)C(C)C
CACTVS 3.385	CC(C)N(C1CC1)C(=O)c2cc(C)on2

Name:

N-cyclopropyl-5-methyl-N-(propan-2-yl)-1,2-oxazole-3-carboxamide

ZINC:

ZINC000071186148

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).