Reaction Details
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Serine/threonine-protein kinase receptor R3 [166-493]
Ligand
BDBM451777
Substrate
n/a
Meas. Tech.
Caliper Assay
IC50
127±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:
BDBM451777
Synonyms:
US10710980, Example 9 | US10947218, Example 9
Type:
Small organic molecule
Emp. Form.:
C26H34N4O2
Mol. Mass.:
434.5738
SMILES:
CC(C)N1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:5.5,25.28,wD:7.10,28.32,(6.81,-4.95,;7.72,-3.7,;9.25,-3.86,;7.09,-2.29,;7.86,-.96,;6.83,.18,;5.58,1.09,;5.42,-.44,;5.58,-1.97,;4.09,.33,;2.76,-.44,;1.42,.33,;1.42,1.87,;2.76,2.64,;4.09,1.87,;.09,2.64,;.09,4.18,;-1.25,4.95,;-2.58,4.18,;-3.91,4.95,;-2.58,2.64,;-1.25,1.87,;-3.91,1.87,;-5.25,2.64,;-3.91,.33,;-5.25,-.44,;-5.25,-1.98,;-6.58,-2.75,;-7.91,-1.98,;-9.25,-2.75,;-7.91,-.44,;-6.58,.33,)|
Structure:
