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Ligand · K01

K01 · N,N-diethyl-2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

K01, N,N-diethyl-2-[(2-thienylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (C18 H22 N2 O2 S2, 362.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
K01
Formula
C18 H22 N2 O2 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

K01 in 2 structures; the first of them:

  • 2PG2 · Crystal structure of KSP in complex with ADP and thiophene containing inhibitor 15 · K01 A604 · binds GLU116, GLY117, GLU118, ARG119, TRP127, ASP130, LEU132, ALA133 and 10 more
  • 2PG2 · Crystal structure of ksp in complex with ADP and thiophene containing inhibitor 15 · K01 A604 · binds GLU116, GLY117, GLU118, ARG119, TRP127, ASP130, LEU132, ALA133 and 10 more

Residues it binds most

GLU 4, LEU 4, ALA 4, ARG 4, GLY 4, ASP 4, ILE 4, PHE 4, PRO 4, TRP 4 (residue and the binding sites it lines).

Found with

  • ADP · Adenosine-5'-diphosphate
  • MG · Magnesium ion

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