BioLiP

PDB

BioLiP

PDB CCD ID:

47K

Number of entries in BioLiP:

Chemical formula:

C14 H23 N3 O2

InChI:

InChI=1S/C14H23N3O2/c1-10(2)12-8-14(19-16-12)15-13(18)9-17-6-4-11(3)5-7-17/h8,10-11H,4-7,9H2,1-3H3,(H,15,18)

InChIKey:

RUCYUQYOHAXRGD-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC1CCN(CC1)CC(=O)Nc2onc(c2)C(C)C
OpenEye OEToolkits 1.9.2	CC1CCN(CC1)CC(=O)Nc2cc(no2)C(C)C
ACDLabs 12.01	O=C(Nc1onc(c1)C(C)C)CN2CCC(C)CC2

Name:

2-(4-methylpiperidin-1-yl)-N-[3-(propan-2-yl)-1,2-oxazol-5-yl]acetamide

ZINC:

ZINC000009450783

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).