Ligand · KHC

KHC · (4~{S})-7,8-bis(chloranyl)-9-methyl-1-oxidanylidene-spiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile

KHC, (4~{S})-7,8-bis(chloranyl)-9-methyl-1-oxidanylidene-spiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile (C17 H16 Cl2 N4 O, 363.2 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (3 PDB entries). Every…

Component: KHC
Formula: C17 H16 Cl2 N4 O
Class: ligand
Structures: 5
PDB entries: 3

Binding sites

KHC in 5 structures; the first of them:

6YTG · CLK1 bound with beta-carboline KH-CARB13 (Cpd 3) · KHC A501 · binds LEU167, GLY168, PHE172, VAL175, ALA189, LYS191, GLU206, PHE241 and 7 more
6YU1 · CLK3 bound with beta-carboline KH-CARB13 (Cpd 3) · KHC a510 · binds LEU162, VAL170, ALA184, LYS186, PHE236, GLU237, LEU238, LEU239 and 5 more
6YTG · CLK1 bound with beta-carboline kh-CARB13 (cpd 3) · KHC A501 · binds LEU167, GLY168, PHE172, VAL175, ALA189, LYS191, GLU206, PHE241 and 7 more
6YU1 · CLK3 bound with beta-carboline kh-CARB13 (cpd 3) · KHC a510 · binds LEU162, VAL170, ALA184, LYS186, PHE236, GLU237, LEU238, LEU239 and 5 more
6Z2V · CLK3 A319V mutant bound with beta-carboline kh-CARB13 (cpd 3) · KHC A501 · binds LEU162, GLY163, VAL170, ALA184, LYS186, PHE236, GLU237, LEU238 and 5 more

Residues it binds most

LEU 7, GLU 7, LYS 7, VAL 7, ALA 9, GLY 9, PHE 7, ASN 7, SER 2, ASP 3 (residue and the binding sites it lines).

Found with

EDO · 1,2-ethanediol
PO4 · Phosphate ion
PG4 · Tetraethylene glycol
K · Potassium ion

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