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Target
Activin receptor type-1 [172-499]
Ligand
BDBM451788
Substrate
n/a
Meas. Tech.
ADPGlo Assay
IC50
7.00±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:
BDBM451788
Synonyms:
US10710980, Example 20 | US10947218, Example 20
Type:
Small organic molecule
Emp. Form.:
C26H34N4O3
Mol. Mass.:
450.5732
SMILES:
COCCN1C[C@@H]2C[C@@]2(C1)c1ccc(cc1)-c1cnc(N)c(c1)C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:6.6,26.29,wD:8.11,29.33,(10.71,-4.99,;9.18,-4.99,;8.41,-3.66,;6.86,-3.66,;6.24,-2.25,;7.01,-.92,;5.98,.23,;4.73,1.13,;4.57,-.4,;4.73,-1.93,;3.24,.37,;1.9,-.4,;.57,.37,;.57,1.91,;1.9,2.68,;3.24,1.91,;-.76,2.68,;-.76,4.22,;-2.1,4.99,;-3.43,4.22,;-4.76,4.99,;-3.43,2.68,;-2.1,1.91,;-4.76,1.91,;-6.1,2.68,;-4.76,.37,;-6.25,-.03,;-6.65,-1.51,;-8.14,-1.91,;-9.23,-.82,;-10.71,-1.22,;-8.83,.66,;-7.34,1.06,)|
Structure:
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