Ligand · TOJ

TOJ · (4-amino-2-{[(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone

TOJ, (4-amino-2-{[(1R,2R,4S)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone (C17 H18 N4 O3 S, 358.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component: TOJ
Formula: C17 H18 N4 O3 S
Class: ligand
Structures: 2
PDB entries: 1

Binding sites

TOJ in 2 structures; the first of them:

6W9E · Crystal Structure of Human CDK9/cyclinT1 in complex with MC180295 · TOJ A403 · binds ILE25, PHE30, VAL33, ALA46, LYS48, VAL79, PHE103, ASP104 and 9 more
6W9E · Crystal structure of human CDK9/CYCLINT1 in complex with MC180295 · TOJ A403 · binds ILE25, PHE30, VAL33, ALA46, LYS48, VAL79, PHE103, ASP104 and 8 more

Residues it binds most

ASP 4, PHE 4, ALA 4, VAL 4, ASN 4, CYS 4, GLU 4, ILE 4, LEU 4, LYS 4 (residue and the binding sites it lines).

Found with

TO7 · (4-amino-2-{[(1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl]amino}-1,3-thiazol-5-yl)(2-nitrophenyl)methanone
PO4 · Phosphate ion

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