BioLiP

PDB

BioLiP

PDB CCD ID:

LJ6

Number of entries in BioLiP:

Chemical formula:

C11 H18 N2 O2

InChI:

InChI=1S/C11H18N2O2/c1-7(11(14)13(4)5)6-10-8(2)12-15-9(10)3/h7H,6H2,1-5H3/t7-/m1/s1

InChIKey:

NIHQHFJWDDQIMY-SSDOTTSWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1c(c(on1)C)CC(C)C(=O)N(C)C
CACTVS 3.385	C[CH](Cc1c(C)onc1C)C(=O)N(C)C
CACTVS 3.385	C[C@H](Cc1c(C)onc1C)C(=O)N(C)C
ACDLabs 12.01	CC(Cc1c(C)onc1C)C(=O)N(C)C
OpenEye OEToolkits 2.0.7	Cc1c(c(on1)C)C[C@@H](C)C(=O)N(C)C

Name:

(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N,2-trimethylpropanamide

ZINC:

ZINC000096416882

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).