BioLiP

PDB

BioLiP

PDB CCD ID:

H2D

Number of entries in BioLiP:

Chemical formula:

C13 H14 N2 O2

InChI:

InChI=1S/C13H14N2O2/c1-2-11(10-6-4-3-5-7-10)13(16)14-12-8-9-17-15-12/h3-9,11H,2H2,1H3,(H,14,15,16)/t11-/m1/s1

InChIKey:

SZRQFFYFLMVKTJ-LLVKDONJSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC[C@@H](C(=O)Nc1ccon1)c2ccccc2
CACTVS 3.385	CC[CH](C(=O)Nc1ccon1)c2ccccc2
ACDLabs 12.01	n1occc1NC(C(c2ccccc2)CC)=O
OpenEye OEToolkits 2.0.6	CCC(c1ccccc1)C(=O)Nc2ccon2
OpenEye OEToolkits 2.0.6	CC[C@H](c1ccccc1)C(=O)Nc2ccon2

Name:

(2R)-N-(1,2-oxazol-3-yl)-2-phenylbutanamide

ZINC:

ZINC000001055646

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).