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Target
Activin receptor type-1 [172-499]
Ligand
BDBM451801
Substrate
n/a
Meas. Tech.
ADPGlo Assay
IC50
10.00±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  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:
BDBM451801
Synonyms:
US10710980, Example 33 | US10947218, Example 33
Type:
Small organic molecule
Emp. Form.:
C28H36N4O3
Mol. Mass.:
476.6104
SMILES:
Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(C2)C1CCOCC1 |r,wU:25.27,10.10,wD:23.25,13.14,(-3.92,5.73,;-2.58,4.96,;-1.25,5.73,;.08,4.96,;.08,3.42,;-1.25,2.65,;-2.58,3.42,;-3.92,2.65,;-5.25,3.42,;-3.92,1.11,;-5.41,.71,;-5.8,-.77,;-7.29,-1.17,;-8.38,-.08,;-9.87,-.48,;-7.98,1.4,;-6.5,1.8,;1.42,2.65,;1.42,1.11,;2.75,.34,;4.08,1.11,;4.08,2.65,;2.75,3.42,;5.42,.34,;5.58,1.87,;6.82,.97,;7.85,-.18,;7.08,-1.51,;5.58,-1.19,;7.71,-2.92,;6.81,-4.16,;7.43,-5.57,;8.96,-5.73,;9.87,-4.49,;9.24,-3.08,)|
Structure:
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