BioLiP

PDB

BioLiP

PDB CCD ID:

YFS

Number of entries in BioLiP:

Chemical formula:

C16 H21 N3 O3

InChI:

InChI=1S/C16H21N3O3/c1-10(2)6-13(17)16(20)19-11-4-5-12(14(7-11)21-3)15-8-18-9-22-15/h4-5,7-10,13H,6,17H2,1-3H3,(H,19,20)/t13-/m1/s1

InChIKey:

SJVFDHNKYMMITG-CYBMUJFWSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C)CC(C(=O)Nc1ccc(c(c1)OC)c2cnco2)N
ACDLabs 12.01	c1(ccc(cc1OC)NC(C(N)CC(C)C)=O)c2ocnc2
CACTVS 3.385	COc1cc(NC(=O)[CH](N)CC(C)C)ccc1c2ocnc2
OpenEye OEToolkits 2.0.7	CC(C)C[C@H](C(=O)Nc1ccc(c(c1)OC)c2cnco2)N
CACTVS 3.385	COc1cc(NC(=O)[C@H](N)CC(C)C)ccc1c2ocnc2

Name:

N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-D-leucinamide

ChEMBL:

CHEMBL4877371

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).