BioLiP

PDB

BioLiP

PDB CCD ID:

A1EMB

Number of entries in BioLiP:

Chemical formula:

C20 H19 F N6 S

InChI:

InChI=1S/C20H19FN6S/c1-11-9-23-19(28-11)17-8-13(6-14-10-27(3)20(22)25-14)7-16(26-17)15-4-5-18(21)24-12(15)2/h4-5,7-10H,6H2,1-3H3,(H2,22,25)

InChIKey:

FPUJAZWIWOBLCF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cnc(s1)c2cc(cc(n2)c3ccc(nc3C)F)Cc4cn(c(n4)N)C
CACTVS 3.385	Cn1cc(Cc2cc(nc(c2)c3ccc(F)nc3C)c4sc(C)cn4)nc1N

Name:

4-[[2-(6-fluoranyl-2-methyl-pyridin-3-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyridin-4-yl]methyl]-1-methyl-imidazol-2-amine

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).