Reaction Details Report a problem with these data
Target
Baculoviral IAP repeat-containing protein 3
Ligand
BDBM50078371
Substrate
n/a
Meas. Tech.
ChEMBL_1470753 (CHEMBL3420982)
IC50
366±n/a nM
Citation
 Seigal, BA; Connors, WH; Fraley, A; Borzilleri, RM; Carter, PH; Emanuel, SL; Fargnoli, J; Kim, K; Lei, M; Naglich, JG; Pokross, ME; Posy, SL; Shen, H; Surti, N; Talbott, R; Zhang, Y; Terrett, NK The discovery of macrocyclic XIAP antagonists from a DNA-programmed chemistry library, and their optimization to give lead compounds with in vivo antitumor activity. J Med Chem 58:2855-61 (2015) [PubMed]  Article 
Target
Name:
Baculoviral IAP repeat-containing protein 3
Synonyms:
API2 | BIRC3 | BIRC3_HUMAN | Baculoviral IAP repeat-containing protein 3 | Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3) | Inhibitor of apoptosis protein 3 (cIAP2) | MIHC | RNF49 | XIAP-BIR3 | cIAP1/cIAP2
Type:
Protein
Mol. Mass.:
68365.75
Organism:
Homo sapiens (Human)
Description:
Q13489
Residue:
604
Sequence:
MNIVENSIFLSNLMKSANTFELKYDLSCELYRMSTYSTFPAGVPVSERSLARAGFYYTGVNDKVKCFCCGLMLDNWKRGDSPTEKHKKLYPSCRFVQSLNSVNNLEATSQPTFPSSVTNSTHSLLPGTENSGYFRGSYSNSPSNPVNSRANQDFSALMRSSYHCAMNNENARLLTFQTWPLTFLSPTDLAKAGFYYIGPGDRVACFACGGKLSNWEPKDNAMSEHLRHFPKCPFIENQLQDTSRYTVSNLSMQTHAARFKTFFNWPSSVLVNPEQLASAGFYYVGNSDDVKCFCCDGGLRCWESGDDPWVQHAKWFPRCEYLIRIKGQEFIRQVQASYPHLLEQLLSTSDSPGDENAESSIIHFEPGEDHSEDAIMMNTPVINAAVEMGFSRSLVKQTVQRKILATGENYRLVNDLVLDLLNAEDEIREEERERATEEKESNDLLLIRKNRMALFQHLTCVIPILDSLLTAGIINEQEHDVIKQKTQTSLQARELIDTILVKGNIAATVFRNSLQEAEAVLYEHLFVQQDIKYIPTEDVSDLPVEEQLRRLQEERTCKVCMDKEVSIVFIPCGHLVVCKDCAPSLRKCPICRSTIKGTVRTFLS
  
Inhibitor
Name:
BDBM50078371
Synonyms:
CHEMBL3414716
Type:
Small organic molecule
Emp. Form.:
C42H50N8O8
Mol. Mass.:
794.8952
SMILES:
[H][C@@]12CCCN1C(=O)[C@H](Cc1ccc(OCc3cn(CCCOc4ccc(C[C@H](NC(=O)[C@H](Cc5ccccc5)NC2=O)C(O)=O)cc4)nn3)cc1)NC(=O)[C@H](C)NC |r|
Structure:
Search PDB for entries with ligand similarity: