BioLiP

PDB

BioLiP

PDB CCD ID:

UEF

Number of entries in BioLiP:

Chemical formula:

C12 H15 N3 O S

InChI:

InChI=1S/C12H15N3OS/c1-12(2)3-8(4-12)14-11(16)9-6-17-10-5-13-7-15(9)10/h5-8H,3-4H2,1-2H3,(H,14,16)

InChIKey:

BGTUKELOHMTWLO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC1(C)CC(C1)NC(=O)c2csc3cncn23
OpenEye OEToolkits 2.0.7	CC1(CC(C1)NC(=O)c2csc3n2cnc3)C

Name:

~{N}-(3,3-dimethylcyclobutyl)imidazo[5,1-b][1,3]thiazole-3-carboxamide

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).