BioLiP

PDB

BioLiP

PDB CCD ID:

G6Z

Number of entries in BioLiP:

Chemical formula:

C15 H17 N5 O2 S

InChI:

InChI=1S/C15H17N5O2S/c1-8(21)11-12(9-5-10(16)7-18-6-9)23-14(19-11)20-13(22)15(17)3-2-4-15/h5-7H,2-4,16-17H2,1H3,(H,19,20,22)

InChIKey:

KPPWHTAJUPKUOO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)c1nc(NC(=O)C2(N)CCC2)sc1c3cncc(N)c3
OpenEye OEToolkits 2.0.6	CC(=O)c1c(sc(n1)NC(=O)C2(CCC2)N)c3cc(cnc3)N

Name:

1-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]cyclobutane-1-carboxamide

ChEMBL:

CHEMBL4640946

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).