Reaction Details Report a problem with these data
Target
Serine/threonine-protein kinase receptor R3 [166-493]
Ligand
BDBM451793
Substrate
n/a
Meas. Tech.
Caliper Assay
IC50
130±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:
Serine/threonine-protein kinase receptor R3 [166-493]
Synonyms:
ACVL1_HUMAN | ACVRL1 | ACVRLK1 | ALK1 | Activin receptor-like kinase 1 (ALK1)(aa 166-493)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
36974.75
Organism:
Homo sapiens (Human)
Description:
aa 166-493
Residue:
328
Sequence:
ASEQGDSMLGDLLDSDCTTGSGSGLPFLVQRTVARQVALVECVGKGRYGEVWRGLWHGESVAVKIFSSRDEQSWFRETEIYNTVLLRHDNILGFIASDMTSRNSSTQLWLITHYHEHGSLYDFLQRQTLEPHLALRLAVSAACGLAHLHVEIFGTQGKPAIAHRDFKSRNVLVKSNLQCCIADLGLAVMHSQGSDYLDIGNNPRVGTKRYMAPEVLDEQIRTDCFESYKWTDIWAFGLVLWEIARRTIVNGIVEDYRPPFYDVVPNDPSFEDMKKVVCVDQQTPTIPNRLAADPVLSGLAQMMRECWYPNPSARLTALRIKKTLQKIS
  
Inhibitor
Name:
BDBM451793
Synonyms:
US10710980, Example 25 | US10947218, Example 25
Type:
Small organic molecule
Emp. Form.:
C29H36F2N4O2
Mol. Mass.:
510.6185
SMILES:
Nc1ncc(cc1C(=O)N[C@H]1CC[C@H](O)CC1)-c1ccc(cc1)[C@@]12C[C@@H]1CN(C2)C1CCC(F)(F)CC1 |r,wU:23.25,10.10,wD:25.27,13.14,(-4.21,6.43,;-2.88,5.66,;-1.54,6.43,;-.21,5.66,;-.21,4.12,;-1.54,3.35,;-2.88,4.12,;-4.21,3.35,;-5.54,4.12,;-4.21,1.81,;-5.7,1.42,;-6.1,-.07,;-7.58,-.47,;-8.67,.62,;-10.16,.22,;-8.27,2.11,;-6.79,2.5,;1.12,3.35,;1.12,1.81,;2.46,1.04,;3.79,1.81,;3.79,3.35,;2.46,4.12,;5.13,1.04,;5.29,2.58,;6.53,1.67,;7.56,.53,;6.79,-.81,;5.29,-.49,;7.42,-2.21,;6.51,-3.46,;7.14,-4.87,;8.67,-5.03,;9.3,-6.43,;10.16,-5.43,;9.58,-3.78,;8.95,-2.37,)|
Structure:
Search PDB for entries with ligand similarity: