UniProt Q08345
Epithelial discoidin domain-containing receptor 1 (Q08345)
Epithelial discoidin domain-containing receptor 1 (UniProt Q08345), EC 2.7.10.1: 60 experimental structures and 1 predicted model on GenesisL1, 34 ligands bound, 25 pockets. Binding sites, druggability and experiment against…
- UniProt
- Q08345
- Protein
- Epithelial discoidin domain-containing receptor 1
- EC
- 2.7.10.1
- Experimental structures
- 60
- Predicted models
- 1
- Ligands
- 34
- Pockets
- 25 · 16 records with a druggable one
Structures
61 records of Q08345 in the MolNFT archive: 60 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 3ZOS | Structure of the DDR1 kinase domain in complex with ponatinib | x-ray diffraction | A, B | — | — |
| 3ZOS | Structure of the DDR1 kinase domain in complex with ponatinib | x-ray diffraction | A, B | — | — |
| 4AG4 | Crystal structure of a DDR1-Fab complex | x-ray diffraction | A | — | — |
| 4AG4 | Crystal structure of a DDR1-Fab complex | x-ray diffraction | A | — | — |
| 4BKJ | Crystal structure of the human DDR1 kinase domain in complex with imatinib | x-ray diffraction | A, B | — | — |
| 4BKJ | Crystal structure of the human DDR1 kinase domain in complex with imatinib | x-ray diffraction | A, B | — | — |
| 4CKR | Crystal structure of the human DDR1 kinase domain in complex with DDR1-IN-1 | x-ray diffraction | A | — | — |
| 4CKR | Crystal structure of the human DDR1 kinase domain in complex with DDR1-in-1 | x-ray diffraction | A | — | — |
| 5BVK | Fragment-based discovery of potent and selective DDR1/2 inhibitors | x-ray diffraction | A | IOD, 4VC | 1 (best 0.74) |
| 5BVK | Fragment-based discovery of potent and selective DDR1/2 inhibitors | x-ray diffraction | A | — | — |
| 5BVN | Fragment-based discovery of potent and selective DDR1/2 inhibitors | x-ray diffraction | A | — | — |
| 5BVO | Fragment-based discovery of potent and selective DDR1/2 inhibitors | x-ray diffraction | A | IOD, 4VE | 1 (best 0.74) |
| 5BVO | Fragment-based discovery of potent and selective DDR1/2 inhibitors | x-ray diffraction | A | — | — |
| 5BVW | Fragment-based discovery of potent and selective DDR1/2 inhibitors | x-ray diffraction | A | IOD, 1N1 | 1 (best 0.72) |
| 5BVW | Fragment-based discovery of potent and selective DDR1/2 inhibitors | x-ray diffraction | A | — | — |
| 5FDP | Structure of DDR1 receptor tyrosine kinase in complex with D2099 inhibitor at 2.25 Angstroms… | x-ray diffraction | A | 5WR | — |
| 5FDP | Structure of DDR1 receptor tyrosine kinase in complex with D2099 inhibitor at 2.25 ångströms… | x-ray diffraction | A | — | — |
| 5FDX | Structure of DDR1 receptor tyrosine kinase in complex with D2164 inhibitor at 2.65 Angstroms… | x-ray diffraction | A, B | 5X1 | — |
| 5FDX | Structure of DDR1 receptor tyrosine kinase in complex with D2164 inhibitor at 2.65 ångströms… | x-ray diffraction | A, B | — | — |
| 5SAU | DDR1, 3-[2-(6-aminopyridin-3-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]benzamide, 1.800A, P212121… | x-ray diffraction | A | 1IF | 1 (best 0.74) |
| 5SAU | DDR1, 3-[2-(6-aminopyridin-3-YL)ETHYNYL]-N-[3-(trifluoromethyl) PHENYL]BENZAMIDE, 1.800A, P212121… | x-ray diffraction | A | 1IF | — |
| 5SAV | DDR1, N-[2-[3-(2-aminopyrimidin-5-yl)oxyphenyl]ethyl]-3-(trifluoromethoxy)benzamide, 1.760A… | x-ray diffraction | A | 1IJ, IOD | 1 (best 0.72) |
| 5SAV | DDR1, N-[2-[3-(2-aminopyrimidin-5-YL)OXYPHENYL]ETHYL]-3- (TRIFLUOROMETHOXY)BENZAMIDE, 1.760A… | x-ray diffraction | A | 1IJ, IOD | — |
| 5SAW | DDR1, 2-[3-(2-pyridin-3-YLETHYNYL)PHENYL]-N-[3-(trifluoromethyl) PHENYL]ACETAMIDE, 1.601A, P212121… | x-ray diffraction | A | 1IM, IOD | — |
| 5SAX | DDR1, 2-[3-(2-pyridin-3-ylethynyl)phenyl]-N-[3-(trifluoromethyl)phenyl]acetamide, 1.902A, second… | x-ray diffraction | A | IOD, 1IM | — |
| 5SAX | DDR1, 2-[3-(2-pyridin-3-YLETHYNYL)PHENYL]-N-[3-(trifluoromethyl) PHENYL]ACETAMIDE, 1.902A, second… | x-ray diffraction | A | IOD, 1IM | — |
| 5SAY | DDR1, N-[2-[3-(2-aminopyrimidin-5-YL)OXYPHENYL]ETHYL]-3- (TRIFLUOROMETHOXY)BENZAMIDE, 2.190A… | x-ray diffraction | A, B | IOD, 1IJ | — |
| 5SAZ | DDR1, 3-chloro-N-[4-chloro-3-(1H-pyrrolo[2,3-b]pyridin-5-ylcarbamoyl)phenyl]-4-(2-hydroxyethylamino)… | x-ray diffraction | A | 1IW, CL | 1 (best 0.73) |
| 5SAZ | DDR1, 3-chloro-N-[4-chloro-3-(1H-PYRROLO[2,3-B]PYRIDIN-5-ylcarbamoyl)… | x-ray diffraction | A | 1IW, CL | — |
| 5SB0 | DDR1, N-[[2-(2-pyridin-3-yloxyethyl)cyclohexyl]methyl]-3-(trifluoromethoxy)benzamide, 1.970A… | x-ray diffraction | A | IOD, 1IZ, CL | 2 (best 0.75) |
| 5SB0 | DDR1, N-[[2-(2-pyridin-3-YLOXYETHYL)CYCLOHEXYL]METHYL]-3- (TRIFLUOROMETHOXY)BENZAMIDE, 1.970A… | x-ray diffraction | A | IOD, 1IZ, CL | — |
| 5SB1 | DDR1, 4-chloro-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-3-(1H-PYRROLO[2,3… | x-ray diffraction | A | 1JI, SO4 | — |
| 5SB2 | DDR1, 3-chloro-N-[(1R,2S)-2-phenylcyclopropyl]-5-(1H-pyrrolo[2,3-b]pyridin-5-yloxymethyl)benzamide… | x-ray diffraction | A | IOD, 1K2 | — |
| 5SB2 | DDR1, 3-chloro-N-[(1R,2S)-2-phenylcyclopropyl]-5-(1H-PYRROLO[2,3… | x-ray diffraction | A | IOD, 1K2 | — |
| 6BRJ | DDR1 bound to VX-680 | x-ray diffraction | A | VX6 | 1 (best 0.73) |
| 6BRJ | DDR1 bound to vx-680 | x-ray diffraction | A | VX6 | — |
| 6BSD | DDR1 bound to Dasatinib | x-ray diffraction | A | 1N1 | 1 (best 0.73) |
| 6BSD | DDR1 bound to dasatinib | x-ray diffraction | A | 1N1 | — |
| 6FEW | DDR1, 2-[8-(1H-indazole-5-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetami… | x-ray diffraction | A | D6W | 2 (best 0.75) |
| 6FEW | DDR1, 2-[8-(1H-indazole-5-carbonyl)-4-oxo-1-phenyl-1,3,8… | x-ray diffraction | A | D6W | — |
| 6FEX | DDR1, 2-[4-bromo-2-oxo-1'-(1H-PYRAZOLO[4,3-B]PYRIDINE-5-carbonyl)… | x-ray diffraction | A | D6Z, IOD, CL | — |
| 6FIL | DDR1, 2-[8-(1H-indazole-5-carbonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetami… | x-ray diffraction | A | D6W, IOD | 1 (best 0.76) |
| 6FIL | DDR1, 2-[8-(1H-indazole-5-carbonyl)-4-oxo-1-phenyl-1,3,8… | x-ray diffraction | A | D6W, IOD | — |
| 6FIN | DDR1, 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-(1H-indazole-5-carbonyl)-1-phenyl-1,3,8-triaz… | x-ray diffraction | A | IOD, DJQ | 2 (best 0.74) |
| 6FIN | DDR1, 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-YL)METHYL]-8-(1H-indazole-5… | x-ray diffraction | A | IOD, DJQ | — |
| 6FIO | DDR1, 2-[1'-(1H-indazole-5-carbonyl)-4-methyl-2-OXOSPIRO[INDOLE-3,4'… | x-ray diffraction | A | DJH | — |
| 6FIQ | DDR1, 1-(1H-indazole-5-carbonyl)-5'-methoxy-1'-[2-oxo-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]eth… | x-ray diffraction | A | DJW, CL | 1 (best 0.75) |
| 6FIQ | DDR1, 1-(1H-indazole-5-carbonyl)-5'-methoxy-1'-[2-oxo-2-[(2S)-2… | x-ray diffraction | A | DJW, CL | — |
| 6GWR | Structure of the kinase domain of human DDR1 in complex with a potent and selective inhibitor of… | x-ray diffraction | A, B | FEW, SO4 | — |
| 6GWR | Structure of the kinase domain of human DDR1 in complex with a potent and selective inhibitor of… | x-ray diffraction | A, B | FEW, SO4 | — |
| 6HP9 | Structure of the kinase domain of human DDR1 in complex with a… | x-ray diffraction | A, B | GKB | — |
| 6HP9 | Structure of the kinase domain of human DDR1 in complex with a 2… | x-ray diffraction | A, B | GKB | — |
| 6Y23 | DDR1 kinase autoinhibited by its juxtamembrane region | x-ray diffraction | A, B, C | SO4 | — |
| 7AYM | Structure of DDR2 Kinase domain in complex with IBZ3 | x-ray diffraction | A | 4VD | 2 (best 0.74) |
| 7AYM | Structure of DDR2 kinase domain in complex with IBZ3 | x-ray diffraction | A | 4VD | — |
| 7BCM | The DDR1 Kinase Domain Bound To SR302 | x-ray diffraction | A, B | TBK | 3 (best 0.79) |
| 7BCM | The DDR1 kinase domain bound to SR302 | x-ray diffraction | A, B | TBK | — |
| 7BE6 | Structure of DDR1 receptor tyrosine kinase in complex with inhibitor SR159 | x-ray diffraction | A | PO4, SO4, TJW | — |
| 7FEH | Crystal structure of human DDR1 in complex with CH5541127 | x-ray diffraction | A | 3UI, NO3 | — |
| 8PE9 | Complex between DDR1 DS-like domain and PRTH-101 Fab | x-ray diffraction | A | NAG, FUC, CA, ZN, NA | 4 (best 0.58) |
1 record more on the page itself.
Ligands
- IOD · Iodide ion · in 18 records
- CL · Chloride ion · in 7 records
- SO4 · Sulfate ion · in 5 records
- D6W · 2-[8-(2~{H}-indazol-5-ylcarbonyl)-4-oxidanylidene-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-~{N}-methyl-ethanamide · in 4 records
- 1IJ · N-(2-{3-[(2-aminopyrimidin-5-yl)oxy]phenyl}ethyl)-3-(trifluoromethoxy)benzamide · in 3 records
- 1IM · 2-{3-[(pyridin-3-yl)ethynyl]phenyl}-N-[3-(trifluoromethyl)phenyl]acetamide · in 3 records
- 1N1 · N-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide · in 3 records
- 1IF · 3-[(6-aminopyridin-3-yl)ethynyl]-N-[3-(trifluoromethyl)phenyl]benzamide · in 2 records
- 1IW · 2-chloro-5-{3-chloro-4-[(2-hydroxyethyl) amino]benzamido}-N-(1H-pyrrolo[2,3-b]pyridin-5-yl) benzamide · in 2 records
- 1IZ · N-{[(1R,2S)-2-{2-[(pyridin-3-yl) oxy]ethyl}cyclohexyl]methyl}-3-(trifluoromethoxy) benzamide · in 2 records
- 1K2 · 3-chloro-N-[(1R,2S)-2-phenylcyclopropyl]-5-{[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]methyl}benzamide · in 2 records
- 4VD · N-[5-({[(3-fluorophenyl)carbamoyl]amino}methyl)-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide · in 2 records
- DJQ · 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-8-(1~{H}-indazol-5-ylcarbonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one · in 2 records
- DJW · 1-(1~{H}-indazol-5-ylcarbonyl)-5'-methoxy-1'-[2-oxidanylidene-2-[(2~{S})-2-(trifluoromethyl) pyrrolidin-1-yl]ethyl]spiro[piperidine-4,3'-pyrrolo[3, 2-b]pyridine]-2'-one · in 2 records
- FEW · 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl) phenyl]-4-propan-2-yl-benzamide · in 2 records
- GKB · (2~{R})-~{N}-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-2-(pyrimidin-5-ylamino)-2,3-dihydro-1~{H}-indene-5-carboxamide · in 2 records
- TBK · ~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{S})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide · in 2 records
- VX6 · Cyclopropanecarboxylic acid {4-[4-(4-methyl-piperazin-1-yl)-6-(5-methyl-2H-pyrazol-3-ylamino)-pyrimidin-2-ylsulfanyl]-phenyl}-amide · in 2 records
- 1JI · 4-chloro-N-[(3S,4R)-4-phenylpyrrolidin-3-yl]-3-{[(1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]methyl}benzamide · in 1 record
- 3UI · N-[(5-chloranyl-2-ethylsulfonyl-phenyl)methyl]-3-piperazin-1-yl-5-(trifluoromethyloxy)benzamide · in 1 record
- 4VC · 1-(2-chlorophenyl)-3-(pyridin-3-ylmethyl)urea · in 1 record
- 4VE · N-(5-{(1S)-1-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl}-2-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide · in 1 record
- 5WR · (4~{S})-4-methyl-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinoline-7-carboxamide · in 1 record
- 5X1 · 3-[(4-methylpiperazin-1-yl)methyl]-~{N}-[(4~{R})-4-methyl-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinolin-7-yl]-5-(trifluoromethyl)benzamide · in 1 record
- CA · Calcium ion · in 1 record
- D6Z · 2-[4-bromanyl-2-oxidanylidene-1'-(1~{H}-pyrazolo[4,3-b]pyridin-5-ylcarbonyl)spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide · in 1 record
- DJH · 2-[1'-(1~{H}-indazol-5-ylcarbonyl)-4-methyl-2-oxidanylidene-spiro[indole-3,4'-piperidine]-1-yl]-~{N}-[2,2,2-tris(fluoranyl)ethyl]ethanamide · in 1 record
- FUC · alpha-L-fucopyranose · in 1 record
- NA · Sodium ion · in 1 record
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · in 1 record
Experiment against prediction
- 4AG4 chain A against the predicted model Q08345: TM-score 0.99, RMSD 0.58 Å
- 4AG4 chain A against the predicted model Q08345: TM-score 0.99, RMSD 0.58 Å
- 6FEX chain A against the predicted model Q08345: TM-score 0.99, RMSD 0.84 Å
- 5BVW chain A against the predicted model Q08345: TM-score 0.98, RMSD 0.87 Å
- 5BVW chain A against the predicted model Q08345: TM-score 0.98, RMSD 0.87 Å
- 6BSD chain A against the predicted model Q08345: TM-score 0.98, RMSD 0.92 Å
- 6BSD chain A against the predicted model Q08345: TM-score 0.98, RMSD 0.92 Å
- 5BVK chain A against the predicted model Q08345: TM-score 0.98, RMSD 0.93 Å
- 5BVK chain A against the predicted model Q08345: TM-score 0.98, RMSD 0.93 Å
- 8PE9 chain A against the predicted model Q08345: TM-score 0.98, RMSD 0.74 Å
Elsewhere
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