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Target
E3 ubiquitin-protein ligase XIAP
Ligand
BDBM26204
Substrate
BDBM32616
Meas. Tech.
Fluorescence Polarization Assay
IC50
110±n/a nM
Citation
 Seneci, P; Bianchi, A; Battaglia, C; Belvisi, L; Bolognesi, M; Caprini, A; Cossu, F; Franco, E; Matteo, M; Delia, D; Drago, C; Khaled, A; Lecis, D; Manzoni, L; Marizzoni, M; Mastrangelo, E; Milani, M; Motto, I; Moroni, E; Potenza, D; Rizzo, V; Servida, F; Turlizzi, E; Varrone, M; Vasile, F; Scolastico, C Rational design, synthesis and characterization of potent, non-peptidic Smac mimics/XIAP inhibitors as proapoptotic agents for cancer therapy. Bioorg Med Chem 17:5834-56 (2009) [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:
BDBM26204
Synonyms:
(3S,6S,7R,9aS)-6-[(2S)-2-aminobutanamido]-7-(aminomethyl)-N-(diphenylmethyl)-5-oxo-octahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide | BMC175834 Compound 4a | Smac010
Type:
Small organic molecule
Emp. Form.:
C28H37N5O3
Mol. Mass.:
491.6251
SMILES:
CC[C@H](N)C(=O)N[C@H]1[C@@H](CN)CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM32616
Synonyms:
SMAC-1F
Type:
n/a
Emp. Form.:
C79H100N14O17
Mol. Mass.:
1517.7229
SMILES:
C[C@H](N)C(=O)N[C@@H](CCCCNC(=O)CCCCC(=O)NCCCC[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O)c1cccc(c1C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:99.105,95.102,6.5,25.25,38.39,42.42,wD:1.1,29.30,53.54,(4.35,5.14,;4.35,3.6,;5.69,2.83,;3.02,2.83,;3.02,1.29,;1.69,3.6,;.35,2.83,;.35,1.29,;1.69,.52,;1.69,-1.02,;3.02,-1.79,;3.02,-3.33,;4.35,-4.1,;5.69,-3.33,;4.35,-5.64,;5.69,-6.41,;5.69,-7.95,;7.02,-8.72,;7.02,-10.26,;5.69,-11.03,;8.35,-11.03,;8.35,-12.57,;9.69,-13.34,;9.69,-14.88,;11.02,-15.65,;11.02,-17.19,;9.69,-17.96,;8.35,-17.19,;8.35,-15.65,;7.02,-17.96,;7.02,-19.5,;5.69,-17.19,;12.35,-17.96,;12.35,-19.5,;13.69,-17.19,;13.52,-15.66,;14.93,-15.03,;15.96,-16.17,;15.2,-17.5,;15.83,-18.91,;14.93,-20.16,;17.36,-19.06,;18.26,-17.81,;17.63,-16.41,;18.53,-15.16,;18,-13.72,;18.98,-12.53,;20.5,-12.79,;21.03,-14.24,;20.05,-15.42,;19.79,-17.97,;20.42,-19.38,;20.69,-16.72,;22.23,-16.72,;23,-18.06,;24.54,-18.06,;25.31,-19.39,;26.85,-19.39,;27.62,-20.72,;29.16,-20.72,;29.93,-19.39,;29.93,-22.06,;31.27,-21.29,;32.6,-22.06,;32.6,-23.6,;31.27,-24.37,;29.93,-23.6,;28.6,-24.37,;28.4,-25.89,;27.51,-23.28,;32.04,-25.7,;33.56,-25.5,;34.15,-24.07,;35.68,-23.87,;36.62,-25.09,;38.14,-24.88,;36.03,-26.51,;34.5,-26.72,;33.92,-28.14,;32.39,-28.34,;31.8,-29.77,;30.28,-29.97,;29.69,-31.4,;29.34,-28.75,;29.92,-27.33,;31.45,-27.12,;23,-15.39,;24.54,-15.39,;22.23,-14.05,;-.98,3.6,;-.98,5.14,;-2.32,2.83,;-2.49,1.3,;-4,1,;-4.76,2.34,;-3.72,3.47,;-4.12,4.96,;-2.78,5.73,;-5.45,5.73,;-6.78,4.96,;-6.78,3.42,;-8.12,2.65,;-9.56,3.18,;-10.74,2.19,;-10.48,.67,;-9.03,.14,;-7.85,1.13,;-8.12,5.73,;-9.45,4.96,;-8.12,7.27,)|
Structure:
Search PDB for entries with ligand similarity: