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Target
Isoform Truncated 1 of E3 ubiquitin-protein ligase CBL-B [36-427]
Ligand
BDBM585813
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:
BDBM585813
Synonyms:
US11530229, Compound 28
Type:
Small organic molecule
Emp. Form.:
C33H30F3N7O
Mol. Mass.:
597.6328
SMILES:
Cn1cnnc1C[C@@]1(C[C@@H](C1)C#N)c1cccc(c1)N1Cc2c(cc(CN3CCc4ncccc4C3)cc2C(F)(F)F)C1=O |r,wU:9.12,wD:7.14,(7.25,-.69,;5.79,-1.16,;5.31,-2.63,;3.77,-2.63,;3.3,-1.16,;4.54,-.26,;4.54,1.28,;5.88,2.05,;6.97,.96,;8.06,2.05,;6.97,3.14,;9.6,2.05,;11.14,2.05,;4.54,2.82,;4.54,4.36,;3.21,5.13,;1.88,4.36,;1.88,2.82,;3.21,2.05,;.54,2.05,;.38,.52,;-1.13,.2,;-1.9,1.54,;-3.44,1.54,;-4.21,.2,;-5.75,.2,;-6.52,-1.13,;-5.75,-2.47,;-6.52,-3.8,;-8.06,-3.8,;-8.83,-5.13,;-10.37,-5.13,;-11.14,-3.8,;-10.37,-2.47,;-8.83,-2.47,;-8.06,-1.13,;-3.44,-1.13,;-1.9,-1.13,;-1.13,-2.47,;-1.9,-3.8,;.41,-2.47,;-.36,-3.8,;-.86,2.68,;-1.18,4.19,)|
Structure:
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