Reaction Details Report a problem with these data
Target
von Hippel-Lindau disease tumor suppressor
Ligand
BDBM552704
Substrate
n/a
Meas. Tech.
VHL HEK-293 BRET Assay
IC50
<5.00±n/a nM
Citation
 Jakob, F; Hao, W; J., FW 1-(2-(4-CYCLOPROPYL-1H-1,2,3-TRIAZOL-1-YL)ACETYL)-4-HYDROXY-N-(BENZYL)PYRROLIDIN E-2-CARBOXAMIDE DERIVATIVES AS VHL INHIBITORS FOR THE TREATMENT OF ANEMIA AND CANCER WIPO 0:0 (2022) [PubMed] 
Target
Name:
von Hippel-Lindau disease tumor suppressor
Synonyms:
Protein G7 | VHL | VHL_HUMAN | Von Hippel-Lindau disease tumor suppressor | Von Hippel-Lindau disease tumor suppressor protein (VBC) | pVHL
Type:
Protein
Mol. Mass.:
24136.87
Organism:
Homo sapiens (Human)
Description:
P40337
Residue:
213
Sequence:
MPRRAENWDEAEVGAEEAGVEEYGPEEDGGEESGAEESGPEESGPEELGAEEEMEAGRPRPVLRSVNSREPSQVIFCNRSPRVVLPVWLNFDGEPQPYPTLPPGTGRRIHSYRGHLWLFRDAGTHDGLLVNQTELFVPSLNVDGQPIFANITLPVYTLKERCLQVVRSLVKPENYRRLDIVRSLYEDLEDHPNVQKDLERLTQERIAHQRMGD
  
Inhibitor
Name:
BDBM552704
Synonyms:
(2S,4R)-l-((2S)-2-(adamantan-l-yl)-2-(4-cyclopropyl-lH-l,2,3-triazol-l-yl)acetyl)-4-hydroxy-N-((S)-l-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide (Compound 20) | WO2022103411, Example S20
Type:
Small organic molecule
Emp. Form.:
C34H42N6O3S
Mol. Mass.:
614.801
SMILES:
C[C@H](NC(=O)C1C[C@@H](O)CN1C(=O)[C@H](C1C2CC3CC(C2)CC1C3)n1cc(nn1)C1CC1)c1ccc(cc1)-c1scnc1C |wU:1.0,7.7,wD:13.27,TLB:13:14:16:18.19.20,THB:18:17:14:19.20.21,18:19:14:16.17.23,21:19:16:14.22.23,21:22:16:18.19.20,(-8.1,-4.77,;-8.14,-3.23,;-6.83,-2.42,;-5.47,-3.15,;-5.43,-4.69,;-4.16,-2.34,;-4.05,-.81,;-2.55,-.44,;-1.96,.98,;-1.74,-1.75,;-2.74,-2.93,;-2.37,-4.42,;-3.49,-5.49,;-.9,-4.86,;.22,-3.79,;1.59,-3.1,;2.96,-3.79,;3.8,-2.32,;3.8,-.92,;2.43,-.23,;1.59,-1.7,;1.06,-.92,;1.06,-2.32,;2.43,-3.02,;-.53,-6.35,;.89,-6.94,;.77,-8.47,;-.72,-8.84,;-1.53,-7.53,;1.95,-9.47,;3.46,-9.75,;2.47,-10.92,;-9.5,-2.5,;-10.81,-3.3,;-12.16,-2.57,;-12.21,-1.03,;-10.9,-.23,;-9.54,-.96,;-13.56,-.3,;-13.77,1.22,;-15.28,1.5,;-16.01,.15,;-14.95,-.97,;-15.23,-2.48,)|
Structure:
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