Reaction Details Report a problem with these data
Target
VHL complex
Ligand
BDBM560698
Substrate
n/a
Meas. Tech.
SPR Assay
Kd
75±n/a nM
Citation
 Dominguez, C; Bard, J; Lee, MR; Liu, L; Prime, ME; Coe, S Compounds for targeting mutant huntingtin protein and uses thereof US Patent  US11389438 Publication Date 7/19/2022 
Target
Name:
VHL complex
Synonyms:
n/a
Type:
Enzyme
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 5 components.
Component 1
Name:
von Hippel-Lindau disease tumor suppressor [54-213]
Synonyms:
VHL | VHL_HUMAN
Type:
Protein
Mol. Mass.:
18536.47
Organism:
Homo sapiens (Human)
Description:
P40337[54-213]
Residue:
160
Sequence:
MEAGRPRPVLRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGD
  
Component 2
Name:
Elongin-C
Synonyms:
ELOC | ELOC_HUMAN | Elongin 15 kDa subunit | Elongin-C | RNA polymerase II transcription factor SIII subunit C | SIII p15 | TCEB1 | Transcription elongation factor B polypeptide 1
Type:
PROTEIN
Mol. Mass.:
12466.49
Organism:
Homo sapiens (Human)
Description:
ChEMBL_108414
Residue:
112
Sequence:
MDGEEKTYGGCEGPDAMYVKLISSDGHEFIVKREHALTSGTIKAMLSGPGQFAENETNEVNFREIPSHVLSKVCMYFTYKVRYTNSSTEIPEFPIAPEIALELLMAANFLDC
  
Component 3
Name:
Elongin-B
Synonyms:
ELOB | ELOB_HUMAN | Elongin 18 kDa subunit | Elongin-B | RNA polymerase II transcription factor SIII subunit B | SIII p18 | TCEB2 | Transcription elongation factor B polypeptide 2
Type:
PROTEIN
Mol. Mass.:
13127.13
Organism:
Homo sapiens (Human)
Description:
ChEMBL_108414
Residue:
118
Sequence:
MDVFLMIRRHKTTIFTDAKESSTVFELKRIVEGILKRPPDEQRLYKDDQLLDDGKTLGECGFTSQTARPQAPATVGLAFRADDTFEALCIEPFSSPPELPDVMKPQDSGSSANEQAVQ
  
Component 4
Name:
Cullin-2
Synonyms:
CUL-2 | CUL2 | CUL2_HUMAN
Type:
Protein
Mol. Mass.:
86987.14
Organism:
Human
Description:
Q13617
Residue:
745
Sequence:
MSLKPRVVDFDETWNKLLTTIKAVVMLEYVERATWNDRFSDIYALCVAYPEPLGERLYTETKIFLENHVRHLHKRVLESEEQVLVMYHRYWEEYSKGADYMDCLYRYLNTQFIKKNKLTEADLQYGYGGVDMNEPLMEIGELALDMWRKLMVEPLQAILIRMLLREIKNDRGGEDPNQKVIHGVINSFVHVEQYKKKFPLKFYQEIFESPFLTETGEYYKQEASNLLQESNCSQYMEKVLGRLKDEEIRCRKYLHPSSYTKVIHECQQRMVADHLQFLHAECHNIIRQEKKNDMANMYVLLRAVSTGLPHMIQELQNHIHDEGLRATSNLTQENMPTLFVESVLEVHGKFVQLINTVLNGDQHFMSALDKALTSVVNYREPKSVCKAPELLAKYCDNLLKKSAKGMTENEVEDRLTSFITVFKYIDDKDVFQKFYARMLAKRLIHGLSMSMDSEEAMINKLKQACGYEFTSKLHRMYTDMSVSADLNNKFNNFIKNQDTVIDLGISFQIYVLQAGAWPLTQAPSSTFAIPQELEKSVQMFELFYSQHFSGRKLTWLHYLCTGEVKMNYLGKPYVAMVTTYQMAVLLAFNNSETVSYKELQDSTQMNEKELTKTIKSLLDVKMINHDSEKEDIDAESSFSLNMNFSSKRTKFKITTSMQKDTPQEMEQTRSAVDEDRKMYLQAAIVRIMKARKVLRHNALIQEVISQSRARFNPSISMIKKCIEVLIDKQYIERSQASADEYSYVA
  
Component 5
Name:
E3 ubiquitin-protein ligase RBX1
Synonyms:
E3 ubiquitin-protein transferase RBX1 | Protein ZYP | RBX1 | RBX1_HUMAN | RING finger protein 75 | RING-box protein 1 | RNF75 | ROC1 | Regulator of cullins 1
Type:
Protein
Mol. Mass.:
12275.36
Organism:
Human
Description:
P62877
Residue:
108
Sequence:
MAAAMDVDTPSGTNSGAGKKRFEVKKWNAVALWAWDIVVDNCAICRNHIMDLCIECQANQASATSEECTVAWGVCNHAFHFHCISRWLKTRQVCPLDNREWEFQKYGH
  
Inhibitor
Name:
BDBM560698
Synonyms:
US11389438, # 1
Type:
Small organic molecule
Emp. Form.:
C44H46N10O6S2
Mol. Mass.:
875.029
SMILES:
CNc1c(nc2cc(ccn12)C#N)-c1cn2c(n1)sc1cc(OCCOCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)NCc3ccc(cc3)-c3scnc3C)C(C)(C)C)ccc21 |r|
Structure:
Search PDB for entries with ligand similarity: