BioLiP

PDB

BioLiP

PDB CCD ID:

IU4

Number of entries in BioLiP:

Chemical formula:

C15 H17 N3 O2 S

InChI:

InChI=1S/C15H17N3O2S/c1-11(19)16-13-4-2-12(3-5-13)14-10-21-15(17-14)18-6-8-20-9-7-18/h2-5,10H,6-9H2,1H3,(H,16,19)

InChIKey:

IUDYOCYEYLDKDX-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.7	CC(=O)Nc1ccc(cc1)c2csc(n2)N3CCOCC3

Name:

N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]ethanamide

ZINC:

ZINC000005481069

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).