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Target
Bone morphogenetic protein receptor type-1A [198-525]
Ligand
BDBM451774
Substrate
n/a
Meas. Tech.
ADPGlo Assay
IC50
940±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:
BDBM451774
Synonyms:
US10710980, Example 6 | US10947218, Example 6
Type:
Small organic molecule
Emp. Form.:
C26H32F2N4O2
Mol. Mass.:
470.5547
SMILES:
Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C(CF)CF |r,wU:23.25,10.10,wD:25.27,13.14,(-4.31,5.66,;-2.97,4.89,;-1.64,5.66,;-.3,4.89,;-.3,3.35,;-1.64,2.58,;-2.97,3.35,;-4.31,2.58,;-5.64,3.35,;-4.31,1.04,;-5.64,.27,;-5.77,-1.27,;-7.17,-1.92,;-8.43,-1.03,;-9.63,-1.68,;-8.3,.5,;-6.9,1.15,;1.03,2.58,;1.03,1.04,;2.36,.27,;3.7,1.04,;3.7,2.58,;2.36,3.35,;5.03,.27,;5.19,1.8,;6.44,.89,;7.47,-.25,;6.7,-1.58,;5.19,-1.26,;7.32,-2.99,;6.55,-4.32,;7.32,-5.66,;8.86,-2.99,;9.63,-4.32,)|
Structure:
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