Reaction Details  Report a problem with these data
Target
Bone morphogenetic protein receptor type-1A
Ligand
BDBM50596203
Substrate
n/a
Meas. Tech.
ChEMBL_2219791 (CHEMBL5133125)
IC50
6351±n/a nM
Citation
 Witten, MR; Wu, L; Lai, CT; Kapilashrami, K; Pusey, M; Gallagher, K; Chen, Y; Yao, W Inhibition of ALK2 with bicyclic pyridyllactams. Bioorg Med Chem Lett 55:0 (2022) [PubMed]  Article
Target
Name:
Bone morphogenetic protein receptor type-1A
Synonyms:
ACVRLK3 | ALK3 | Activin receptor-like kinase 3 (ALK-3) | BMPR1A | BMR1A_HUMAN
Type:
Enzyme
Mol. Mass.:
60204.46
Organism:
Homo sapiens (Human)
Description:
P36894
Residue:
532
Sequence:
MPQLYIYIRLLGAYLFIISRVQGQNLDSMLHGTGMKSDSDQKKSENGVTLAPEDTLPFLKCYCSGHCPDDAINNTCITNGHCFAIIEEDDQGETTLASGCMKYEGSDFQCKDSPKAQLRRTIECCRTNLCNQYLQPTLPPVVIGPFFDGSIRWLVLLISMAVCIIAMIIFSSCFCYKHYCKSISSRRRYNRDLEQDEAFIPVGESLKDLIDQSQSSGSGSGLPLLVQRTIAKQIQMVRQVGKGRYGEVWMGKWRGEKVAVKVFFTTEEASWFRETEIYQTVLMRHENILGFIAADIKGTGSWTQLYLITDYHENGSLYDFLKCATLDTRALLKLAYSAACGLCHLHTEIYGTQGKPAIAHRDLKSKNILIKKNGSCCIADLGLAVKFNSDTNEVDVPLNTRVGTKRYMAPEVLDESLNKNHFQPYIMADIYSFGLIIWEMARRCITGGIVEEYQLPYYNMVPSDPSYEDMREVVCVKRLRPIVSNRWNSDECLRAVLKLMSECWAHNPASRLTALRIKKTLAKMVESQDVKI
  
Inhibitor
Name:
BDBM50596203
Synonyms:
CHEMBL5191364
Type:
Small organic molecule
Emp. Form.:
C26H33FN4O2
Mol. Mass.:
452.5642
SMILES:
C[C@@H]1CCCN1Cc1ccc(cc1F)-c1cnc(N)c2C(=O)N(CCc12)C1CCC(O)CC1 |r,wU:1.0,(8.69,2.71,;7.23,3.19,;6.75,4.65,;5.21,4.65,;4.73,3.19,;5.98,2.28,;5.98,.74,;4.65,-.03,;4.65,-1.57,;3.31,-2.34,;1.98,-1.57,;1.98,-.03,;3.31,.74,;3.31,2.28,;.65,-2.34,;.65,-3.88,;-.69,-4.65,;-2.02,-3.88,;-3.36,-4.65,;-2.02,-2.34,;-3.36,-1.57,;-4.69,-2.34,;-3.36,-.03,;-2.02,.74,;-.69,-.03,;-.69,-1.57,;-4.69,.74,;-4.69,2.28,;-6.02,3.05,;-7.36,2.28,;-8.69,3.05,;-7.36,.74,;-6.02,-.03,)|
Structure:
Search PDB for entries with ligand similarity: