Reaction Details Report a problem with these data
Target
Bone morphogenetic protein receptor type-1A [198-525]
Ligand
BDBM451807
Substrate
n/a
Meas. Tech.
ADPGlo Assay
IC50
830±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  US10710980 Publication Date 7/14/2020 
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:
BDBM451807
Synonyms:
US10710980, Example 39 | US10947218, Example 39
Type:
Small organic molecule
Emp. Form.:
C30H38F3N5O2
Mol. Mass.:
557.6502
SMILES:
Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCN(CC(F)(F)F)CC1 |r,wU:23.25,10.10,wD:25.27,13.14,(-5.29,7.1,;-3.96,6.33,;-2.63,7.1,;-1.29,6.33,;-1.29,4.79,;-2.63,4.02,;-3.96,4.79,;-5.29,4.02,;-6.63,4.79,;-5.29,2.48,;-6.78,2.08,;-7.18,.6,;-8.67,.2,;-9.76,1.29,;-11.24,.89,;-9.36,2.77,;-7.87,3.17,;.04,4.02,;.04,2.48,;1.38,1.71,;2.71,2.48,;2.71,4.02,;1.38,4.79,;4.04,1.71,;4.2,3.24,;5.45,2.34,;6.48,1.19,;5.71,-.14,;4.2,.18,;6.34,-1.55,;5.43,-2.79,;6.06,-4.2,;7.59,-4.36,;8.22,-5.77,;9.76,-5.77,;10.53,-7.1,;10.53,-4.43,;11.24,-5.37,;8.49,-3.12,;7.87,-1.71,)|
Structure:
Search PDB for entries with ligand similarity: