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Target
Serine/threonine-protein kinase receptor R3 [166-493]
Ligand
BDBM451838
Substrate
n/a
Meas. Tech.
Caliper Assay
IC50
180±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:
Serine/threonine-protein kinase receptor R3 [166-493]
Synonyms:
ACVL1_HUMAN | ACVRL1 | ACVRLK1 | ALK1 | Activin receptor-like kinase 1 (ALK1)(aa 166-493)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
36974.75
Organism:
Homo sapiens (Human)
Description:
aa 166-493
Residue:
328
Sequence:
ASEQGDSMLGDLLDSDCTTGSGSGLPFLVQRTVARQVALVECVGKGRYGEVWRGLWHGESVAVKIFSSRDEQSWFRETEIYNTVLLRHDNILGFIASDMTSRNSSTQLWLITHYHEHGSLYDFLQRQTLEPHLALRLAVSAACGLAHLHVEIFGTQGKPAIAHRDFKSRNVLVKSNLQCCIADLGLAVMHSQGSDYLDIGNNPRVGTKRYMAPEVLDEQIRTDCFESYKWTDIWAFGLVLWEIARRTIVNGIVEDYRPPFYDVVPNDPSFEDMKKVVCVDQQTPTIPNRLAADPVLSGLAQMMRECWYPNPSARLTALRIKKTLQKIS
  
Inhibitor
Name:
BDBM451838
Synonyms:
US10710980, Example 67 | US10947218, Example 67
Type:
Small organic molecule
Emp. Form.:
C25H29F3N4O2
Mol. Mass.:
474.5186
SMILES:
Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CC(F)(F)F)C2 |r,wU:10.10,25.27,wD:13.14,23.25,(-4.73,4.95,;-3.4,4.18,;-2.07,4.95,;-.73,4.18,;-.73,2.64,;-2.07,1.87,;-3.4,2.64,;-4.73,1.87,;-6.07,2.64,;-4.73,.33,;-6.07,-.44,;-6.07,-1.98,;-7.4,-2.75,;-8.73,-1.98,;-10.07,-2.75,;-8.73,-.44,;-7.4,.33,;.6,1.87,;.6,.33,;1.94,-.44,;3.27,.33,;3.27,1.87,;1.94,2.64,;4.6,-.44,;4.6,1.1,;6.01,.4,;7.04,-.95,;6.27,-2.29,;7.04,-3.62,;8.58,-3.62,;9.35,-4.95,;10.07,-3.22,;9.35,-2.29,;4.76,-1.97,)|
Structure:
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