Target
Baculoviral IAP repeat-containing protein 2
Ligand
BDBM50450041
Substrate
n/a
Meas. Tech.
ChEMBL_1741811 (CHEMBL4157561)
IC50
6.5±n/a nM
Citation
 Johnson, CNAhn, JSBuck, IMChiarparin, EDay, JEHHopkins, AHoward, SLewis, EJMartins, VMillemaggi, AMunck, JMPage, LWPeakman, TReader, MRich, SJSaxty, GSmyth, TThompson, NTWard, GAWilliams, PAWilsher, NEChessari, G A Fragment-Derived Clinical Candidate for Antagonism of X-Linked and Cellular Inhibitor of Apoptosis Proteins: 1-(6-[(4-Fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-1 H,2 H,3 H-pyrrolo[3,2- b]pyridin-1-yl)-2-[(2 R,5 R)-5-methyl-2-([(3R)-3-methylmorpholin-4-yl]methyl)piperazin-1-yl]ethan-1-one J Med Chem 61:7314-7329 (2018) [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:
BDBM50450041
Synonyms:
CHEMBL4172596
Type:
Small organic molecule
Emp. Form.:
C29H38FN5O3
Mol. Mass.:
523.6421
SMILES:
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc23)[C@@H](CN2C[C@@H](C)OCC2=O)CN1 |r|
Structure:
Search PDB for entries with ligand similarity: