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Target
Activin receptor type-1 [172-499]
Ligand
BDBM451792
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  US10710980 Publication Date 7/14/2020 
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:
BDBM451792
Synonyms:
US10710980, Example 24 | US10947218, Example 24
Type:
Small organic molecule
Emp. Form.:
C27H36N4O2
Mol. Mass.:
448.6003
SMILES:
CC(C)N1C[C@H]2C[C@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@](C)(O)CC1 |r,wU:7.10,25.28,28.32,wD:28.33,5.5,(6.32,-4.95,;7.23,-3.7,;8.76,-3.86,;6.6,-2.29,;7.37,-.96,;6.34,.18,;5.09,1.09,;4.93,-.44,;5.09,-1.97,;3.6,.33,;2.27,-.44,;.93,.33,;.93,1.87,;2.27,2.64,;3.6,1.87,;-.4,2.64,;-.4,4.18,;-1.74,4.95,;-3.07,4.18,;-4.4,4.95,;-3.07,2.64,;-1.74,1.87,;-4.4,1.87,;-5.74,2.64,;-4.4,.33,;-5.49,-.76,;-5.09,-2.25,;-6.18,-3.34,;-7.67,-2.94,;-7.67,-4.48,;-8.76,-4.03,;-8.07,-1.45,;-6.98,-.36,)|
Structure:
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