Reaction Details Report a problem with these data
Target
E3 ubiquitin-protein ligase XIAP
Ligand
BDBM50462129
Substrate
n/a
Meas. Tech.
ChEMBL_1772781 (CHEMBL4229773)
IC50
3.0±n/a nM
Citation
 Ramesh, R; Reddy, DS Quest for Novel Chemical Entities through Incorporation of Silicon in Drug Scaffolds. J Med Chem 61:3779-3798 (2018) [PubMed]  Article 
Target
Name:
E3 ubiquitin-protein ligase XIAP
Synonyms:
API3 | BIRC4 | E3 ubiquitin-protein ligase XIAP | IAP3 | Inhibitor of apoptosis protein 3 | Inhibitor of apoptosis protein 3 (XIAP) | X-linked inhibitor of apoptosis | X-linked inhibitor of apoptosis protein (XIAP) | XIAP | XIAP_HUMAN
Type:
Protein
Mol. Mass.:
56685.27
Organism:
Homo sapiens (Human)
Description:
P98170
Residue:
497
Sequence:
MTFNSFEGSKTCVPADINKEEEFVEEFNRLKTFANFPSGSPVSASTLARAGFLYTGEGDTVRCFSCHAAVDRWQYGDSAVGRHRKVSPNCRFINGFYLENSATQSTNSGIQNGQYKVENYLGSRDHFALDRPSETHADYLLRTGQVVDISDTIYPRNPAMYSEEARLKSFQNWPDYAHLTPRELASAGLYYTGIGDQVQCFCCGGKLKNWEPCDRAWSEHRRHFPNCFFVLGRNLNIRSESDAVSSDRNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEECLVRTTEKTPSLTRRIDDTIFQNPMVQEAIRMGFSFKDIKKIMEEKIQISGSNYKSLEVLVADLVNAQKDSMQDESSQTSLQKEISTEEQLRRLQEEKLCKICMDRNIAIVFVPCGHLVTCKQCAEAVDKCPMCYTVITFKQKIFMS
  
Inhibitor
Name:
BDBM50462129
Synonyms:
CHEMBL4244166
Type:
Small organic molecule
Emp. Form.:
C57H77N9O7Si
Mol. Mass.:
1028.3629
SMILES:
[#6]-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(cc1)C#C[#6](=O)-[#7]-[#6@H]-1-[#6]-[#6@H](-[#7](-[#6]-1)-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6])C([#6])([#6])[#6])-[#6](=O)-[#7]-[#6@@H]-1-[#6]-[#6]-[#6]-c2ccccc-12)-[#6](=O)-[#7]-1-[#6][Si;v4]([#6])([#6])[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H]-1-[#6]-[#6]-[#6]-c2ccccc-12 |r|
Structure:
Search PDB for entries with ligand similarity: