Reaction Details
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Isoform Truncated 1 of E3 ubiquitin-protein ligase CBL-B [36-427]
Ligand
BDBM585809
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 More Info.:
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:
BDBM585809
Synonyms:
US11530229, Compound 24
Type:
Small organic molecule
Emp. Form.:
C31H33F3N6O2
Mol. Mass.:
578.6279
SMILES:
Cn1cnnc1C[C@@]1(C[C@@H](C1)C#N)c1cccc(c1)N1Cc2c(cc(CNC3COC(C)(C)C3)cc2C(F)(F)F)C1=O |r,wU:9.12,wD:7.14,(7.6,-1.35,;6.13,-1.83,;5.66,-3.29,;4.12,-3.29,;3.64,-1.83,;4.89,-.92,;4.89,.62,;6.22,1.39,;7.31,.3,;8.4,1.39,;7.31,2.48,;9.94,1.39,;11.48,1.39,;4.89,2.16,;4.89,3.7,;3.55,4.47,;2.22,3.7,;2.22,2.16,;3.55,1.39,;.88,1.39,;.72,-.15,;-.78,-.47,;-1.55,.87,;-3.09,.87,;-3.86,-.47,;-5.4,-.47,;-6.17,-1.8,;-7.71,-1.8,;-8.74,-2.94,;-10.15,-2.32,;-9.99,-.79,;-9.99,.75,;-11.48,-.39,;-8.48,-.47,;-3.09,-1.8,;-1.55,-1.8,;-.78,-3.13,;-1.55,-4.47,;.76,-3.13,;-.01,-4.47,;-.52,2.01,;-.84,3.52,)|
Structure:
