Reaction Details Report a problem with these data
Target
Bone morphogenetic protein receptor type-1A [198-525]
Ligand
BDBM451813
Substrate
n/a
Meas. Tech.
ADPGlo Assay
IC50
430±n/a nM
Citation
 Arista, L; Babu, S; Bian, J; Cui, K; Dillon, MP; Lattmann, R; Li, J; Liao, L; Lizos, D; Ramos, R; Stiefl, NJ; Ullrich, T; Usselmann, P; Wang, X; Waykole, LM; Weiler, S; Zhang, Y; Zhou, Y; Zhu, T Aminopyridine derivatives and their use as selective ALK-2 inhibitors US Patent  US10947218 Publication Date 3/16/2021 
Target
Name:
Bone morphogenetic protein receptor type-1A [198-525]
Synonyms:
ACVRLK3 | ALK3 | Activin receptor-like kinase 3 (ALK3) (aa 198-525) | Activin receptor-like kinase 3 (ALK3)(198-525) | BMPR1A | BMR1A_HUMAN
Type:
Enzyme Catalytic Domain
Mol. Mass.:
37140.17
Organism:
Homo sapiens (Human)
Description:
aa 198-525
Residue:
328
Sequence:
AFIPVGESLKDLIDQSQSSGSGSGLPLLVQRTIAKQIQMVRQVGKGRYGEVWMGKWRGEKVAVKVFFTTEEASWFRETEIYQTVLMRHENILGFIAADIKGTGSWTQLYLITDYHENGSLYDFLKCATLDTRALLKLAYSAACGLCHLHTEIYGTQGKPAIAHRDLKSKNILIKKNGSCCIADLGLAVKFNSDTNEVDVPLNTRVGTKRYMAPEVLDESLNKNHFQPYIMADIYSFGLIIWEMARRCITGGIVEEYQLPYYNMVPSDPSYEDMREVVCVKRLRPIVSNRWNSDECLRAVLKLMSECWAHNPASRLTALRIKKTLAKMV
  
Inhibitor
Name:
BDBM451813
Synonyms:
US10710980, Example 44 | US10947218, Example 44
Type:
Small organic molecule
Emp. Form.:
C28H36N4O4S
Mol. Mass.:
524.675
SMILES:
Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCS(=O)(=O)CC1 |r,wU:23.25,10.10,wD:25.27,13.14,(-4.13,6.5,;-2.8,5.73,;-1.47,6.5,;-.13,5.73,;-.13,4.19,;-1.47,3.42,;-2.8,4.19,;-4.13,3.42,;-5.47,4.19,;-4.13,1.88,;-5.62,1.48,;-6.02,-.01,;-7.51,-.4,;-8.6,.69,;-10.08,.29,;-8.2,2.17,;-6.71,2.57,;1.2,3.42,;1.2,1.88,;2.54,1.11,;3.87,1.88,;3.87,3.42,;2.54,4.19,;5.2,1.11,;5.36,2.64,;6.61,1.74,;7.64,.59,;6.87,-.74,;5.36,-.42,;7.5,-2.15,;6.59,-3.39,;7.22,-4.8,;8.75,-4.96,;10.08,-5.73,;8.75,-6.5,;9.65,-3.72,;9.03,-2.31,)|
Structure:
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