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Ligand · UUB

UUB · (E)-N-[4-[(1R,3R)-3-[[5-chloranyl-4-(1H-indol-3-yl) pyrimidin-2-yl]amino]cyclohexyl]oxyphenyl]-4-(dimethylamino)but-2-enamide

UUB, (E)-N-[4-[(1R,3R)-3-[[5-chloranyl-4-(1H-indol-3-yl) pyrimidin-2-yl]amino]cyclohexyl]oxyphenyl]-4-(dimethylamino)but-2-enamide (C30 H33 Cl N6 O2, 545.1 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
UUB
Formula
C30 H33 Cl N6 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

UUB in 2 structures; the first of them:

  • 7NXK · Crystal structure of human Cdk12/Cyclin K in complex with the inhibitor BSJ-01-175 · UUB A2000 · binds ILE733, GLY734, GLU735, VAL741, ALA754, PHE813, GLU814, TYR815 and 9 more
  • 7NXK · Crystal structure of human CDK12/CYCLIN K in complex with the inhibitor bsj-01-175 · UUB A2000 · binds ILE733, GLY734, GLU735, VAL741, ALA754, PHE813, GLU814, TYR815 and 9 more

Residues it binds most

ASP 4, GLU 4, HIS 4, ILE 4, VAL 4, ALA 4, CYS 4, GLY 4, LEU 4, MET 4 (residue and the binding sites it lines).

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