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Target
Activin receptor type-1 [172-499]
Ligand
BDBM451821
Substrate
n/a
Meas. Tech.
ADPGlo Assay
IC50
11.0±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:
Activin receptor type-1 [172-499]
Synonyms:
ACVR1 | ACVR1_HUMAN | ACVRLK2 | Activin receptor type-1 (ACVR1) | Activin receptor-like kinase 2 (ALK-2)(aa 172-499) | Activin receptor-like kinase 2 (ALK2)(172-499)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
37139.64
Organism:
Homo sapiens (Human)
Description:
aa 172-499
Residue:
328
Sequence:
TTNVGDSTLADLLDHSCTSGSGSGLPFLVQRTVARQITLLECVGKGRYGEVWRGSWQGENVAVKIFSSRDEKSWFRETELYNTVMLRHENILGFIASDMTSRHSSTQLWLITHYHEMGSLYDYLQLTTLDTVSCLRIVLSIASGLAHLHIEIFGTQGKPAIAHRDLKSKNILVKKNGQCCIADLGLAVMHSQSTNQLDVGNNPRVGTKRYMAPEVLDETIQVDCFDSYKRVDIWAFGLVLWEVARRMVSNGIVEDYKPPFYDVVPNDPSFEDMRKVVCVDQQRPNIPNRWFSDPTLTSLAKLMKECWYQNPSARLTALRIKKTLTKID
  
Inhibitor
Name:
BDBM451821
Synonyms:
US10710980, Example 50 | US10947218, Example 50
Type:
Small organic molecule
Emp. Form.:
C26H32F2N4O2
Mol. Mass.:
470.5547
SMILES:
CC(F)(F)CN1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:9.12,27.30,wD:30.34,7.7,(9.23,-2.35,;8.56,-3.62,;9.33,-4.95,;9.83,-3.25,;7.29,-3.62,;6.52,-2.29,;7.29,-.95,;6.26,.19,;5.01,1.1,;4.85,-.44,;5.01,-1.97,;3.52,.33,;2.18,-.44,;.85,.33,;.85,1.87,;2.18,2.64,;3.52,1.87,;-.48,2.64,;-.48,4.18,;-1.82,4.95,;-3.15,4.18,;-4.48,4.95,;-3.15,2.64,;-1.82,1.87,;-4.48,1.87,;-5.82,2.64,;-4.48,.33,;-5.82,-.44,;-5.95,-1.97,;-7.35,-2.62,;-8.61,-1.74,;-9.83,-2.35,;-8.48,-.2,;-7.08,.45,)|
Structure:
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