Reaction Details Report a problem with these data
Target
Activin receptor type-1 [172-499,R206H]
Ligand
BDBM451773
Substrate
n/a
Meas. Tech.
Caliper 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,R206H]
Synonyms:
ACVR1 | ACVR1_HUMAN | ACVRLK2 | Activin receptor type-1 (ALK2 FOP) (R206H aa 172-499) | Activin receptor type-1 (ALK2)(FOP)(R206H)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
37120.09
Organism:
Homo sapiens (Human)
Description:
aa 172-499
Residue:
328
Sequence:
TTNVGDSTLADLLDHSCTSGSGSGLPFLVQRTVAHQITLLECVGKGRYGEVWRGSWQGENVAVKIFSSRDEKSWFRETELYNTVMLRHENILGFIASDMTSRHSSTQLWLITHYHEMGSLYDYLQLTTLDTVSCLRIVLSIASGLAHLHIEIFGTQGKPAIAHRDLKSKNILVKKNGQCCIADLGLAVMHSQSTNQLDVGNNPRVGTKRYMAPEVLDETIQVDCFDSYKRVDIWAFGLVLWEVARRMVSNGIVEDYKPPFYDVVPNDPSFEDMRKVVCVDQQRPNIPNRWFSDPTLTSLAKLMKECWYQNPSARLTALRIKKTLTKID
  
Inhibitor
Name:
BDBM451773
Synonyms:
US10710980, Example 5 | US10947218, Example 5
Type:
Small organic molecule
Emp. Form.:
C30H41N5O3
Mol. Mass.:
519.6782
SMILES:
Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@]12C[C@H]1CN(CCCN1CCOCC1)C2 |r,wU:25.27,10.10,wD:23.25,13.14,(-6.62,4.32,;-5.28,3.55,;-3.95,4.32,;-2.61,3.55,;-2.61,2.01,;-3.95,1.24,;-5.28,2.01,;-6.62,1.24,;-7.95,2.01,;-6.62,-.3,;-7.95,-1.07,;-8.08,-2.6,;-9.48,-3.25,;-10.74,-2.37,;-11.94,-3.02,;-10.61,-.83,;-9.21,-.18,;-1.28,1.24,;-1.28,-.3,;.05,-1.07,;1.39,-.3,;1.39,1.24,;.05,2.01,;2.72,-1.07,;2.88,.47,;4.13,-.44,;5.16,-1.58,;4.39,-2.92,;5.01,-4.32,;6.55,-4.32,;7.32,-2.99,;8.86,-2.99,;9.63,-4.32,;11.17,-4.32,;11.94,-2.99,;11.17,-1.66,;9.63,-1.66,;2.88,-2.6,)|
Structure:
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