Index | Ligand Name | Structure | PDB code | Compound Potency nM |
1 | 5wf | BTK kinase domain with inhibitor 1 | 5fbn | 0.27 |
2 | 5wh | BTK-inhibitor co-structure | 5fbo | 0.31 |
3 | 73t | Crystal structure of Bruton agammabulinemia tyrosine kinase complexed with BMS-986142 aka (2s)-6-fluoro-5-[3-(8-fluoro-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-2-methylphenyl]-2-(2-hydroxypropan-2-yl)-2,3,4,9-tetrahydro-1h-carbazole-8-carboxamide | 5t18 | 0.5 |
4 | 83p | Discovery of a potent BTK inhibitor with a novel binding mode using parallel selections with a DNA-encoded chemical library | 5u9d | 0.55 |
5 | b43 | The 1.6 A crystal structure of human bruton's tyrosine kinase bound to a pyrrolopyrimidine-containing compound | 3gen | 0.72 |
6 | 1n1 | Structures of human Bruton's tyrosine kinase in active and inactive conformations suggests a mechanism of activation for TEC family kinases. | 3k54 | 1 |
7 | 9b1 | Bruton's tyrosine kinase (BTK) with compound G-744 | 5vgo | 2 |
8 | 3yo | Bruton's tyrosine kinase (BTK) with pyridazinone compound 23 | 4rx5 | 3 |
9 | 6mv | CRYSTAL STRUCTURE OF BRUTON AGAMMAGLOBULINEMIA TYROSINE KINASE COMPLEXED WITH 4-[2-FLUORO-3-(4-OXO -3,4-DIHYDROQUINAZOLIN-3-YL)PHENYL]-7-(2-HYDROXYPROPAN-2-Y L)-9H-CARBAZOLE-1-CARBOXAMIDE | 5jrs | 4 |
10 | 4c9 | Bruton's tyrosine kinase in complex with a t-butyl cyanoacrylamide inhibitor | 4yhf | 4.6 |
11 | 2vl | Crystal structure of the kinase domain of Bruton's Tyrosine kinase with GDC0834 | 4otf | 6 |
12 | 6xl | Bruton's tyrosine kinase (BTK) with pyridazinone compound 9 | 5kup | 7.2 |
13 | 2p5 | Crystal structure of Bruton agammaglobulinemia tyrosine kinase complexed with BMS-809959 aka 4-tert-butyl-n-[2-me thyl-3-(6-{[4-(morpholine-4-carbonyl)phenyl]amino}-9h- purin-2-yl)phenyl]benzamide | 4nwm | 8 |
14 | 4us | Crystal structure of bruton agammaglobulinemia tyrosine kinase complexed with BMS-824171 AKA 6-[(3R)-3-(4-tert-bu tylbenzamido)piperidin-1-yl]-2-{[4-(morpholine-4-carbonyl) phenyl]amino}pyridine-3-carboxamide | 5bq0 | 15 |
15 | 3ov | Crystal structure of BTK kinase domain complexed with 6-(dimethylamino)-8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridyl]amino]-6-oxo-3-pyridyl]phenyl]isoquinolin-1-one | 4rfz | 40 |
16 | lhl | Crystal structure of BTK kinase domain complexed with 3-(2,6-Dichloro-phenyl)-7-[4-(2-diethylamino-ethoxy)-phenylamino]-1-methyl-3,4-dihydro-1H-pyrimido[4,5-d]pyrimidin-2-one | 3pj1 | 48 |
17 | 3p0 | Crystal structure of BTK kinase domain complexed with 2-[8-fluoro-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(4-methylpiperazin-1-yl)-2-pyridyl]amino]-6-oxo-3-pyridyl]phenyl]-1-oxo-3,4-dihydroisoquinolin-6-yl]-2-methyl-propanenitrile | 4rg0 | 50 |
18 | 3ou | Crystal structure of BTK kinase domain complexed with 6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[1-methyl-5-[[5-(morpholine-4-carbonyl)-2-pyridyl]amino]-6-oxo-3-pyridyl]phenyl]-3,4-dihydroisoquinolin-1-one | 4rfy | 100 |
19 | 027 | Crystal structure of BTK kinase domain complexed with 2-Isopropyl-7-(4-methyl-piperazin-1-yl)-4-(5-methyl-2H-pyrazol-3-ylamino)-2H-phthalazin-1-one | 3pix | 100 |
20 | 4rv | Crystal Structure of Bruton's Tyrosine Kinase in complex with a substituted Cinnoline | 4zlz | 100 |
21 | 585 | Crystal structure of BTK kinase domain complexed with R406 | 3piy | 290 |
22 | 2v1 | Crystal structure of BTK kinase domain complexed with 4-Methanesulfonyl-N-(3-{8-[4-(morpholine-4-carbonyl)-phenylamino]-imidazo[1,2-a]pyrazin-6-yl}-phenyl)-benzamide | 4ot6 | 1200 |
23 | 03c | Crystal structure of BTK kinase domain complexed with (5-Amino-1-o-tolyl-1H-pyrazol-4-yl)-[3-(1-methanesulfonyl-piperidin-4-yl)-phenyl]-methanone | 3piz | 3500 |
24 | 04l | Crystal structure of BTK kinase domain complexed with 2-Methyl-5-[(E)-(3-phenyl-acryloyl)amino]-N-(2-phenyl-3H-imidazo[4,5-b]pyridin-6-yl)-benzamide | 3pj3 | 5600 |
25 | 04k | Crystal structure of BTK kinase domain complexed with 2-[4-(2-Diethylamino-ethoxy)-phenylamino]-6-(4-fluoro-phenoxy)-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one | 3pj2 | 7200 |