Reaction Details Report a problem with these data
Target
Baculoviral IAP repeat-containing protein 2
Ligand
BDBM50401491
Substrate
n/a
Meas. Tech.
ChEMBL_884122 (CHEMBL2216052)
IC50
5.4±n/a nM
Citation
 Lecis, D; Mastrangelo, E; Belvisi, L; Bolognesi, M; Civera, M; Cossu, F; De Cesare, M; Delia, D; Drago, C; Manenti, G; Manzoni, L; Milani, M; Moroni, E; Perego, P; Potenza, D; Rizzo, V; Scavullo, C; Scolastico, C; Servida, F; Vasile, F; Seneci, P Dimeric Smac mimetics/IAP inhibitors as in vivo-active pro-apoptotic agents. Part II: Structural and biological characterization. Bioorg Med Chem 20:6709-23 (2012) [PubMed]  Article 
Target
Name:
Baculoviral IAP repeat-containing protein 2
Synonyms:
API1 | BIRC2 | BIRC2_HUMAN | Baculoviral IAP repeat-containing protein 2 (cIAP1) | Cellular inhibitor of apoptosis 1 | Inhibitor of apoptosis protein 2 (cIAP1) | MIHB | RNF48
Type:
Protein
Mol. Mass.:
69900.47
Organism:
Homo sapiens (Human)
Description:
Q13490
Residue:
618
Sequence:
MHKTASQRLFPGPSYQNIKSIMEDSTILSDWTNSNKQKMKYDFSCELYRMSTYSTFPAGVPVSERSLARAGFYYTGVNDKVKCFCCGLMLDNWKLGDSPIQKHKQLYPSCSFIQNLVSASLGSTSKNTSPMRNSFAHSLSPTLEHSSLFSGSYSSLSPNPLNSRAVEDISSSRTNPYSYAMSTEEARFLTYHMWPLTFLSPSELARAGFYYIGPGDRVACFACGGKLSNWEPKDDAMSEHRRHFPNCPFLENSLETLRFSISNLSMQTHAARMRTFMYWPSSVPVQPEQLASAGFYYVGRNDDVKCFCCDGGLRCWESGDDPWVEHAKWFPRCEFLIRMKGQEFVDEIQGRYPHLLEQLLSTSDTTGEENADPPIIHFGPGESSSEDAVMMNTPVVKSALEMGFNRDLVKQTVQSKILTTGENYKTVNDIVSALLNAEDEKREEEKEKQAEEMASDDLSLIRKNRMALFQQLTCVLPILDNLLKANVINKQEHDIIKQKTQIPLQARELIDTILVKGNAAANIFKNCLKEIDSTLYKNLFVDKNMKYIPTEDVSGLSLEEQLRRLQEERTCKVCMDKEVSVVFIPCGHLVVCQECAPSLRKCPICRGIIKGTVRTFLS
  
Inhibitor
Name:
BDBM50401491
Synonyms:
CHEMBL2204581
Type:
Small organic molecule
Emp. Form.:
C64H88N14O8
Mol. Mass.:
1181.4725
SMILES:
CC[C@H](NC)C(=O)N[C@H]1[C@@H](CO)CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H](c1cn(CCCCc2ccc(CCCCn3cc(nn3)[C@@H](NC(=O)[C@@H]3CC[C@@H]4CC[C@H](CO)[C@H](NC(=O)[C@H](CC)NC)C(=O)N34)c3ccccc3)cc2)nn1)c1ccccc1 |r|
Structure:
Search PDB for entries with ligand similarity: