BioLiP

PDB

BioLiP

PDB CCD ID:

MTZ

Number of entries in BioLiP:

Chemical formula:

C18 H20 N6 O S

InChI:

InChI=1S/C18H20N6OS/c1-12-16(26-17(19)21-12)15-6-7-20-18(23-15)22-13-2-4-14(5-3-13)24-8-10-25-11-9-24/h2-5,7H,6,8-11H2,1H3,(H2,19,21)/b22-18-

InChIKey:

RPSZSAKYXPWBRR-PYCFMQQDSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	N\2=C(c1sc(nc1C)N)CC=NC/2=N\c4ccc(N3CCOCC3)cc4
OpenEye OEToolkits 1.5.0	Cc1c(sc(n1)N)C2=NC(=Nc3ccc(cc3)N4CCOCC4)N=CC2
CACTVS 3.341	Cc1nc(N)sc1C2=NC(N=CC2)=Nc3ccc(cc3)N4CCOCC4

Name:

4-METHYL-5-{(2E)-2-[(4-MORPHOLIN-4-YLPHENYL)IMINO]-2,5-DIHYDROPYRIMIDIN-4-YL}-1,3-THIAZOL-2-AMINE

DrugBank:

DB08219

ZINC:

ZINC000103550310

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).