Reaction Details
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Report a problem with these dataTarget
Serine/threonine-protein kinase receptor R3 [166-493]
Ligand
BDBM451781
Substrate
n/a
Meas. Tech.
Caliper Assay
IC50
140±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 More Info.:
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:
BDBM451781
Synonyms:
US10710980, Example 13 | US10947218, Example 13
Type:
Small organic molecule
Emp. Form.:
C29H39N5O3
Mol. Mass.:
505.6517
SMILES:
Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CCN1CCOCC1)C2 |r,wU:25.27,10.10,wD:23.25,13.14,(-5.42,6.3,;-4.09,5.53,;-2.75,6.3,;-1.42,5.53,;-1.42,3.99,;-2.75,3.22,;-4.09,3.99,;-5.42,3.22,;-6.76,3.99,;-5.42,1.68,;-6.76,.91,;-6.89,-.63,;-8.29,-1.28,;-9.55,-.39,;-10.75,-1.04,;-9.41,1.14,;-8.02,1.79,;-.09,3.22,;-.09,1.68,;1.25,.91,;2.58,1.68,;2.58,3.22,;1.25,3.99,;3.91,.91,;4.07,2.44,;5.32,1.53,;6.35,.39,;5.58,-.94,;6.21,-2.35,;7.74,-2.34,;8.44,-3.63,;7.67,-4.96,;8.44,-6.3,;9.98,-6.3,;10.75,-4.96,;9.98,-3.63,;4.07,-.62,)|
Structure:
