Reaction Details Report a problem with these data
Target
Isoform Truncated 1 of E3 ubiquitin-protein ligase CBL-B [36-427]
Ligand
BDBM585796
Substrate
n/a
Meas. Tech.
Cbl-b Displacement Assay (Cbl-b Inhibition Assay low)
IC50
1.5±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:
BDBM585796
Synonyms:
US11530229, Compound 11
Type:
Small organic molecule
Emp. Form.:
C31H31F5N6O
Mol. Mass.:
598.6095
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)CCC1(F)F |r,wU:34.40,wD:25.27,1.0,(-10.75,-2.36,;-9.21,-2.36,;-8.44,-1.03,;-6.9,-1.03,;-6.13,.3,;-4.59,.3,;-3.82,1.64,;-2.28,1.64,;-1.25,2.78,;-1.57,4.29,;.16,2.16,;-0,.62,;-1.51,.3,;-2.28,-1.03,;-3.82,-1.03,;-1.51,-2.36,;-2.28,-3.7,;.03,-2.36,;-.74,-3.7,;1.49,2.93,;1.49,4.47,;2.82,5.24,;4.16,4.47,;4.16,2.93,;2.82,2.16,;5.49,2.16,;4.16,1.39,;4.16,-.15,;2.91,-1.06,;3.39,-2.52,;4.93,-2.52,;5.4,-1.06,;6.87,-.58,;6.58,1.07,;7.67,2.16,;6.58,3.25,;9.21,2.16,;10.75,2.16,;-6.13,-2.36,;-6.9,-3.7,;-8.44,-3.7,;-8.44,-5.24,;-9.77,-4.47,)|
Structure:
Search PDB for entries with ligand similarity: