Reaction Details Report a problem with these data
Target
Isoform Truncated 1 of E3 ubiquitin-protein ligase CBL-B [36-427]
Ligand
BDBM585800
Substrate
n/a
Meas. Tech.
Cbl-b Displacement Assay (Cbl-b Inhibition Assay low)
IC50
3.5±n/a nM
Citation
 Sands, AT; Bence, NF; Zapf, CW; Cohen, F; Wang, C; Cummins, T; Tanaka, H; Shunatona, H; Cardozo, M; Weiss, D; Gosling, J Cyano cyclobutyl compounds for CBL-B inhibition and uses thereof US Patent  US11530229 Publication Date 12/20/2022 
Target
Name:
Isoform Truncated 1 of E3 ubiquitin-protein ligase CBL-B [36-427]
Synonyms:
CBLB | CBLB_HUMAN | E3 ubiquitin-protein ligase CBL-B [36-427] | RNF56
Type:
Enzyme Catalytic Domain
Mol. Mass.:
45487.32
Organism:
Homo sapiens (Human)
Description:
aa 36-427 (sequence in paper SEQ ID No: 1)
Residue:
392
Sequence:
PKQAAADRRTVEKTWKLMDKVVRLCQNPKLQLKNSPPYILDILPDTYQHLRLILSKYDDNQKLAQLSENEYFKIYIDSLMKKSKRAIRLFKEGKERMYEEQSQDRRNLTKLSLIFSHMLAEIKAIFPNGQFQGDNFRITKADAAEFWRKFFGDKTIVPWKVFRQCLHEVHQISSGLEAMALKSTIDLTCNDYISVFEFDIFTRLFQPWGSILRNWNFLAVTHPGYMAFLTYDEVKARLQKYSTKPGSYIFRLSCTRLGQWAIGYVTGDGNILQTIPHNKPLFQALIDGSREGFYLYPDGRSYNPDLTGLCEPTPHDHIKVTQEQYELYCEMGSTFQLCKICAENDKDVKIEPCGHLMCTSCLTAWQESDGQGCPFCRCEIKGTEPIIVDPFD
  
Inhibitor
Name:
BDBM585800
Synonyms:
US11530229, Compound 15
Type:
Small organic molecule
Emp. Form.:
C31H33F3N6O2
Mol. Mass.:
578.6279
SMILES:
C[C@H]1CN(Cc2cc3C(=O)N(Cc3c(c2)C(F)(F)F)c2cccc(c2)[C@@]2(Cc3nncn3C)C[C@@H](C2)C#N)C[C@@H](C)O1 |r,wU:34.40,wD:25.27,39.44,1.0,(-6.5,-5.21,;-6.9,-3.72,;-6.13,-2.39,;-6.9,-1.06,;-6.13,.28,;-4.59,.28,;-3.82,1.61,;-2.28,1.61,;-1.25,2.76,;-1.57,4.26,;.16,2.13,;-0,.6,;-1.51,.28,;-2.28,-1.06,;-3.82,-1.06,;-1.51,-2.39,;-2.28,-3.72,;.03,-2.39,;-.74,-3.72,;1.49,2.9,;1.49,4.44,;2.82,5.21,;4.16,4.44,;4.16,2.9,;2.82,2.13,;5.49,2.13,;4.16,1.36,;4.16,-.18,;2.91,-1.09,;3.39,-2.55,;4.93,-2.55,;5.4,-1.09,;6.87,-.61,;6.58,1.04,;7.67,2.13,;6.58,3.22,;9.21,2.13,;10.75,2.13,;-8.44,-1.06,;-9.21,-2.39,;-10.75,-2.39,;-8.44,-3.72,)|
Structure:
Search PDB for entries with ligand similarity: