BioLiP

PDB

BioLiP

PDB CCD ID:

8X6

Number of entries in BioLiP:

Chemical formula:

C14 H16 N4 O S

InChI:

InChI=1S/C14H16N4OS/c15-13(19)17-6-8-18(9-7-17)14-16-12(10-20-14)11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H2,15,19)

InChIKey:

GXEVJUTWIIMGLR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2csc(n2)N3CCN(CC3)C(=O)N
CACTVS 3.385	NC(=O)N1CCN(CC1)c2scc(n2)c3ccccc3

Name:

4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide

ZINC:

ZINC000004512282

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).