UniProt O14757
Serine/threonine-protein kinase Chk1 (O14757)
Serine/threonine-protein kinase Chk1 (UniProt O14757), EC 2.7.1.-, 2.7.1.37: 308 experimental structures and 4 predicted models on GenesisL1, 76 ligands bound, 92 pockets. Binding sites, druggability and experiment against…
- UniProt
- O14757
- Protein
- Serine/threonine-protein kinase Chk1
- EC
- 2.7.1.-, 2.7.1.37, 2.7.11.1
- Experimental structures
- 308
- Predicted models
- 4
- Ligands
- 76
- Pockets
- 92 · 70 records with a druggable one
Structures
312 records of O14757 in the MolNFT archive: 308 experimental, 4 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1IA8 | The 1.7 a crystal structure of human cell cycle checkpoint kinase CHK1 | x-ray diffraction | A | SO4 | 2 (best 0.64) |
| 1IA8 | The 1.7 a crystal structure of human cell cycle checkpoint kinase CHK1 | x-ray diffraction | A | — | — |
| 1NVQ | The Complex Structure Of Checkpoint Kinase Chk1/UCN-01 | x-ray diffraction | A | SO4, UCN | 1 (best 0.61) |
| 1NVQ | The complex structure of checkpoint kinase CHK1/UCN-01 | x-ray diffraction | A | — | — |
| 1NVR | The Complex Structure Of Checkpoint Kinase Chk1/Staurosporine | x-ray diffraction | A | SO4, STU | 1 (best 0.62) |
| 1NVR | The complex structure of checkpoint kinase CHK1/STAUROSPORINE | x-ray diffraction | A | — | — |
| 1NVS | The Complex Structure Of Checkpoint Kinase Chk1/SB218078 | x-ray diffraction | A | SO4, UCM | 1 (best 0.60) |
| 1NVS | The complex structure of checkpoint kinase CHK1/SB218078 | x-ray diffraction | A | — | — |
| 1ZLT | Crystal Structure of Chk1 Complexed with a Hymenaldisine Analog | x-ray diffraction | A | SO4, HYM | 1 (best 0.66) |
| 1ZLT | Crystal structure of CHK1 complexed with a hymenaldisine analog | x-ray diffraction | A | — | — |
| 1ZYS | Co-crystal structure of Checkpoint Kinase Chk1 with a pyrrolo-pyridine inhibitor | x-ray diffraction | A | SO4, 199 | 2 (best 0.64) |
| 1ZYS | Co-crystal structure of checkpoint kinase CHK1 with a pyrrolo-pyridine inhibitor | x-ray diffraction | A | — | — |
| 2AYP | Crystal Structure of CHK1 with an Indol Inhibitor | x-ray diffraction | A | 43A | 1 (best 0.66) |
| 2AYP | Crystal structure of CHK1 with an indol inhibitor | x-ray diffraction | A | — | — |
| 2BR1 | Structure-based Design of Novel Chk1 Inhibitors: Insights into Hydrogen Bonding and Protein-Ligand… | x-ray diffraction | A | PFP, SO4 | 1 (best 0.65) |
| 2BR1 | Structure-based design of novel CHK1 inhibitors: insights into hydrogen bonding and protein-ligand… | x-ray diffraction | A | — | — |
| 2BRB | Structure-based Design of Novel Chk1 Inhibitors: Insights into Hydrogen Bonding and Protein-Ligand… | x-ray diffraction | A | PFQ, SO4 | 2 (best 0.62) |
| 2BRB | Structure-based design of novel CHK1 inhibitors: insights into hydrogen bonding and protein-ligand… | x-ray diffraction | A | — | — |
| 2BRG | Structure-based Design of Novel Chk1 Inhibitors: Insights into Hydrogen Bonding and Protein-Ligand… | x-ray diffraction | A | DFY | 1 (best 0.66) |
| 2BRG | Structure-based design of novel CHK1 inhibitors: insights into hydrogen bonding and protein-ligand… | x-ray diffraction | A | — | — |
| 2BRH | Structure-based Design of Novel Chk1 Inhibitors: Insights into Hydrogen Bonding and Protein-Ligand… | x-ray diffraction | A | DFW | 2 (best 0.65) |
| 2BRH | Structure-based design of novel CHK1 inhibitors: insights into hydrogen bonding and protein-ligand… | x-ray diffraction | A | — | — |
| 2BRM | Structure-based Design of Novel Chk1 Inhibitors: Insights into Hydrogen Bonding and Protein-Ligand… | x-ray diffraction | A | DFZ | 1 (best 0.63) |
| 2BRM | Structure-based design of novel CHK1 inhibitors: insights into hydrogen bonding and protein-ligand… | x-ray diffraction | A | — | — |
| 2BRN | Structure-based Design of Novel Chk1 Inhibitors: Insights into Hydrogen Bonding and Protein-Ligand… | x-ray diffraction | A | DF1 | 1 (best 0.64) |
| 2BRN | Structure-based design of novel CHK1 inhibitors: insights into hydrogen bonding and protein-ligand… | x-ray diffraction | A | — | — |
| 2BRO | Structure-based Design of Novel Chk1 Inhibitors: Insights into Hydrogen Bonding and Protein-Ligand… | x-ray diffraction | A | DF2 | 2 (best 0.67) |
| 2BRO | Structure-based design of novel CHK1 inhibitors: insights into hydrogen bonding and protein-ligand… | x-ray diffraction | A | — | — |
| 2C3J | Identification of a buried pocket for potent and selective inhibition of Chk1: prediction and… | x-ray diffraction | A | DBQ, SO3 | 1 (best 0.59) |
| 2C3K | Identification of a buried pocket for potent and selective inhibition of Chk1: prediction and… | x-ray diffraction | A | ABO | 1 (best 0.66) |
| 2C3L | Identification of a buried pocket for potent and selective inhibition of Chk1: prediction and… | x-ray diffraction | A | IDZ, SO4 | 1 (best 0.64) |
| 2CGU | Identification of chemically diverse Chk1 inhibitors by receptor- based virtual screening | x-ray diffraction | A | 3A3 | 1 (best 0.65) |
| 2CGU | Identification of chemically diverse CHK1 inhibitors by receptor-based virtual screening | x-ray diffraction | A | — | — |
| 2CGV | Identification of chemically diverse Chk1 inhibitors by receptor- based virtual screening | x-ray diffraction | A | 3B3 | 1 (best 0.60) |
| 2CGV | Identification of chemically diverse CHK1 inhibitors by receptor-based virtual screening | x-ray diffraction | A | — | — |
| 2CGW | Identification of chemically diverse Chk1 inhibitors by receptor- based virtual screening | x-ray diffraction | A | 3C3 | 1 (best 0.61) |
| 2CGW | Identification of chemically diverse CHK1 inhibitors by receptor-based virtual screening | x-ray diffraction | A | — | — |
| 2CGX | Identification of chemically diverse Chk1 inhibitors by receptor- based virtual screening | x-ray diffraction | A | 3D3 | 1 (best 0.62) |
| 2CGX | Identification of chemically diverse CHK1 inhibitors by receptor-based virtual screening | x-ray diffraction | A | — | — |
| 2E9N | Structure of h-CHK1 complexed with A767085 | x-ray diffraction | A | 76A | 2 (best 0.65) |
| 2E9N | Structure of H-CHK1 complexed with A767085 | x-ray diffraction | A | — | — |
| 2E9O | Structure of h-CHK1 complexed with AA582939 | x-ray diffraction | A | A58 | 1 (best 0.66) |
| 2E9O | Structure of H-CHK1 complexed with AA582939 | x-ray diffraction | A | — | — |
| 2E9P | Structure of h-CHK1 complexed with A771129 | x-ray diffraction | A | 77A | 2 (best 0.60) |
| 2E9P | Structure of H-CHK1 complexed with A771129 | x-ray diffraction | A | — | — |
| 2E9U | Structure of h-CHK1 complexed with A780125 | x-ray diffraction | A | A25 | 2 (best 0.64) |
| 2E9U | Structure of H-CHK1 complexed with A780125 | x-ray diffraction | A | — | — |
| 2E9V | Structure of h-CHK1 complexed with A859017 | x-ray diffraction | A, B | 85A | 5 (best 0.75) |
| 2E9V | Structure of H-CHK1 complexed with A859017 | x-ray diffraction | A, B | — | — |
| 2GDO | 4-(Aminoalkylamino)-3-Benzimidazole-Quinoli s As Potent CHK1 Inhibitors | x-ray diffraction | A | SO4, 12C | 2 (best 0.68) |
| 2GDO | 4-(aminoalkylamino)-3-benzimidazole-quinolinones as potent CHK1 inhibitors | x-ray diffraction | A | — | — |
| 2GHG | h-CHK1 complexed with A431994 | x-ray diffraction | A | A53 | 2 (best 0.64) |
| 2GHG | H-CHK1 complexed with A431994 | x-ray diffraction | A | — | — |
| 2HOG | crystal structure of Chek1 in complex with inhibitor 20 | x-ray diffraction | A | 710 | 1 (best 0.65) |
| 2HOG | Crystal structure of CHEK1 in complex with inhibitor 20 | x-ray diffraction | A | — | — |
| 2HXL | crystal structure of Chek1 in complex with inhibitor 1 | x-ray diffraction | A | 422 | 1 (best 0.65) |
| 2HXL | Crystal structure of CHEK1 in complex with inhibitor 1 | x-ray diffraction | A | — | — |
| 2HXQ | crystal structure of Chek1 in complex with inhibitor 2 | x-ray diffraction | A | 373 | 1 (best 0.65) |
| 2HXQ | Crystal structure of CHEK1 in complex with inhibitor 2 | x-ray diffraction | A | — | — |
| 2HY0 | crystal structure of chek1 in complex with inhibitor 22 | x-ray diffraction | A | 306 | 1 (best 0.64) |
252 records more on the page itself.
Ligands
- CL · Chloride ion · in 23 records
- SO4 · Sulfate ion · in 19 records
- 4K4 · 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one · in 6 records
- A0Q · 5-(4-methylpiperazin-1-yl)-2-phenylmethoxy-~{N}-pyridin-3-yl-benzamide · in 5 records
- STU · Staurosporine · in 5 records
- ADE · Adenine · in 4 records
- TVW · 1H-pyrazolo[3,4-d]pyrimidin-4-amine · in 4 records
- 3FE · 3-[4-(morpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]benzonitrile · in 2 records
- 42C · N,N-dimethyl-7H-purin-6-amine · in 2 records
- A0T · [4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoranyl-5-methoxy-phenyl]-morpholin-4-yl-methanone · in 2 records
- A1K · [4-[[5-chloranyl-4-(methylamino)-7~{H}-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-phenyl]-morpholin-4-yl-methanone · in 2 records
- A1N · (2~{R},6~{S})-2,6-dimethyl-4-[6-[5-(1-methylcyclopropyl)oxy-1~{H}-indazol-3-yl]pyrimidin-4-yl]morpholine · in 2 records
- A3E · 5-[4-(morpholin-4-ylmethyl)phenyl]-3-(1-propan-2-yl-1, 2,3-triazol-4-yl)pyridin-2-amine · in 2 records
- A3H · 4-(3-methylphenyl)-6-[(1-methylpyrazol-3-yl)amino]-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile · in 2 records
- A3K · 6-azanyl-4-(3-methylphenyl)-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile · in 2 records
- A3Q · 4-(3-hydroxyphenyl)-1~{H}-pyrrolo[2,3-b]pyridine-3-carbonitrile · in 2 records
- AGS · Phosphothiophosphoric acid-adenylate ester · in 2 records
- ANP · Phosphoaminophosphonic acid-adenylate ester · in 2 records
- BVI · 8-cyclopropyl-N-[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]quinazolin-2-amine · in 2 records
- BWI · 1-(2-{[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]amino}quinazolin-8-yl)cyclopropane-1-carbonitrile · in 2 records
- BXI · 1-[5-chloro-4-({6-chloro-7-[1-(oxetan-3-yl)piperidin-4-yl]quinazolin-2-yl}amino)-1H-pyrazol-1-yl]-2-methylpropan-2-ol · in 2 records
- BYL · (3R,4R)-4-{4-[6-chloro-2-({1-[(1R)-2,2-difluorocyclopropyl]-5-methyl-1H-pyrazol-4-yl}amino) quinazolin-7-yl]piperidin-1-yl}-4-methyloxolan-3-ol · in 2 records
- D4Q · 2-(3-fluorophenyl)-4-[[(3~{S})-piperidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide · in 2 records
- D4Z · 2-phenyl-4-[[(3~{S})-piperidin-3-yl]amino]-1~{H}-indole-7-carboxamide · in 2 records
- D58 · 4-[[(2~{R},3~{S})-2-methylpiperidin-3-yl]amino]-2-phenyl-thieno[3,2-c]pyridine-7-carboxamide · in 2 records
- L80 · (3R,4R)-4-{(3S,4S)-4-[6-chloro-2-({5-chloro-1-[(1R)-2, 2-difluorocyclopropyl]-1H-pyrazol-4-yl}amino) quinazolin-7-yl]-3-fluoropiperidin-1-yl}oxolan-3-ol · in 2 records
- MG · Magnesium ion · in 2 records
- TVT · 2-methyl-2-(3-methyl-4-{[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-1H-pyrazol-1-yl)propanenitrile · in 2 records
- TW2 · 4-amino-6-{[(2-fluorophenyl)methyl]amino}-7-methyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile · in 2 records
- TWH · 4-amino-7-methyl-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile · in 2 records
Experiment against prediction
- 2C3J chain A against the predicted model 2C3J: TM-score 1.00, RMSD 0.00 Å
- 2C3K chain A against the predicted model 2C3K: TM-score 1.00, RMSD 0.00 Å
- 2C3L chain A against the predicted model 2C3L: TM-score 1.00, RMSD 0.00 Å
- 1IA8 chain A against the predicted model 2C3L: TM-score 0.97, RMSD 0.31 Å
- 2HXQ chain A against the predicted model 2C3L: TM-score 0.97, RMSD 0.31 Å
- 2HXQ chain A against the predicted model 2C3L: TM-score 0.97, RMSD 0.31 Å
- 2HXL chain A against the predicted model 2C3L: TM-score 0.97, RMSD 0.34 Å
- 2HXL chain A against the predicted model 2C3L: TM-score 0.97, RMSD 0.34 Å
- 4FTQ chain A against the predicted model 2C3L: TM-score 1.00, RMSD 0.36 Å
- 4FTQ chain A against the predicted model 2C3L: TM-score 1.00, RMSD 0.36 Å
Elsewhere
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.