Ligand · DKI
DKI · 5-amino-3-{[4-(aminosulfonyl)phenyl]amino}-N-(2,6-difluorophenyl)-1H-1,2,4-triazole-1-carbothioamide
DKI, 5-amino-3-{[4-(aminosulfonyl)phenyl]amino}-N-(2,6-difluorophenyl)-1H-1,2,4-triazole-1-carbothioamide (C15 H13 F2 N7 O2 S2, 425.4 g/mol), in the MolNFT structures on GenesisL1: bound in 20 records (10 PDB entries). Every binding site…
- Component
- DKI
- Formula
- C15 H13 F2 N7 O2 S2
- Class
- ligand
- Structures
- 20
- PDB entries
- 10
Binding sites
DKI in 20 structures; the first of them:
- 2CHL · Structure of casein kinase 1 gamma 3 · DKI A1323 · binds ILE49, PHE54, LEU57, ALA70, LYS72, LEU116, GLU117, LEU118 and 12 more
- 2J51 · Crystal structure of Human STE20-like kinase bound to… · DKI A1314 · binds LEU40, VAL48, ALA61, LYS63, VAL92, ILE108, GLU109, PHE110 and 9 more
- 2JFL · Crystal structure of human STE20-like kinase (diphosphorylated form) bound to 5… · DKI A1309 · binds LEU40, VAL48, ALA61, LYS63, VAL92, ILE108, GLU109, PHE110 and 9 more
- 2W4O · Crystal structure of Human CAMK4 in complex with 4-Amino(sulfamoyl… · DKI A1338 · binds LEU52, GLY53, ARG54, VAL60, ALA73, ILE102, LEU118, GLU119 and 7 more
- 2WU6 · Crystal Structure of the Human CLK3 in complex with DKI · DKI A1484 · binds ASN161, LEU162, VAL170, ALA184, LYS186, VAL220, PHE236, GLU237 and 10 more
- 3HMI · The crystal structure of human ABL2 in complex with… · DKI A1 · binds LEU294, GLY295, GLN298, TYR299, VAL302, ALA315, VAL345, THR361 and 11 more
- 3LJ1 · IRE1 complexed with Cdk1/2 Inhibitor III · DKI A1 · binds LEU680, GLY681, TYR682, VAL689, ALA700, ILE729, LEU745, GLU746 and 11 more
- 4AAA · Crystal structure of the human CDKL2 kinase domain · DKI A500 · binds VAL10, GLY11, TYR15, VAL18, ALA31, VAL64, PHE80, GLU81 and 11 more
- 4FZF · Crystal structure of MST4-MO25 complex with DKI · DKI B301 · binds ILE30, GLY31, GLY33, ALA51, THR83, GLU100, TYR101, LEU102 and 7 more
- 4QMP · MST3 in complex with CDK1/2 inhibitor III, 5-amino-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2… · DKI A402 · binds ILE30, GLY31, LYS32, GLY33, VAL38, ALA51, MET99, GLU100 and 11 more
- 2CHL · Structure of casein kinase 1 gamma 3 · DKI A1323 · binds ILE49, PHE54, LEU57, ALA70, LYS72, LEU116, GLU117, LEU118 and 12 more
- 2J51 · Crystal structure of human STE20-like kinase bound to 5… · DKI A1314 · binds LEU40, VAL48, ALA61, LYS63, VAL92, ILE108, GLU109, PHE110 and 9 more
- 2JFL · Crystal structure of human STE20-like kinase (diphosphorylated form) bound to 5… · DKI A1309 · binds LEU40, VAL48, ALA61, LYS63, VAL92, ILE108, GLU109, PHE110 and 9 more
- 2W4O · Crystal structure of human CAMK4 in complex with 4-AMINO(SULFAMOYL… · DKI A1338 · binds LEU52, GLY53, ARG54, VAL60, ALA73, ILE102, LEU118, GLU119 and 7 more
- 2WU6 · Crystal structure of the human CLK3 in complex with dki · DKI A1484 · binds ASN161, LEU162, VAL170, ALA184, LYS186, VAL220, PHE236, GLU237 and 10 more
- 3HMI · The crystal structure of human ABL2 in complex with 5-amino-3-{[4… · DKI A1 · binds LEU294, GLY295, GLN298, TYR299, VAL302, ALA315, VAL345, THR361 and 11 more
- 3LJ1 · IRE1 complexed with CDK1/2 inhibitor III · DKI A1 · binds LEU680, GLY681, TYR682, VAL689, ALA700, ILE729, LEU745, GLU746 and 11 more
- 4AAA · Crystal structure of the human CDKL2 kinase domain · DKI A500 · binds VAL10, GLY11, TYR15, VAL18, ALA31, VAL64, PHE80, GLU81 and 11 more
- 4FZF · Crystal structure of MST4-MO25 complex with dki · DKI B301 · binds ILE30, GLY31, GLY33, ALA51, THR83, GLU100, TYR101, LEU102 and 7 more
- 4QMP · MST3 in complex with CDK1/2 inhibitor III, 5-amino-3-{[4… · DKI A402 · binds ILE30, GLY31, LYS32, GLY33, VAL38, ALA51, MET99, GLU100 and 11 more
Residues it binds most
LEU 22, ALA 22, GLY 22, ASP 22, VAL 18, ASN 20, GLU 22, ILE 16, PHE 14, TYR 12 (residue and the binding sites it lines).
Found with
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