Target
Baculoviral IAP repeat-containing protein 2
Ligand
BDBM139076
Substrate
n/a
Meas. Tech.
Fluorescence Polarization (FP) Based Competitive Assay
pH
7.5±n/a
IC50
<300±n/a nM
Comments
extracted
Citation
 Wang, SSheng, RSun, HLiu, LLu, JMcEachern, D Bivalent inhibitors of IAP proteins and therapeutic methods using the same US Patent  US8883771 Publication Date 11/11/2014 
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:
BDBM139076
Synonyms:
US8883771, 22
Type:
Small organic molecule
Emp. Form.:
C62H80N12O8
Mol. Mass.:
1121.3742
SMILES:
CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)NC1CCC(CC1)NC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)NC(c1ccccc1)c1ccccc1 |r,wU:50.59,53.72,57.65,62.69,wD:12.16,7.6,2.2,(-1.71,-4.01,;-3.04,-3.24,;-3.04,-1.7,;-1.71,-.93,;-4.38,-.93,;-4.38,.61,;-5.71,-1.7,;-7.04,-.93,;-5.95,.16,;-5.95,1.7,;-7.04,2.79,;-8.58,2.79,;-9.67,1.7,;-11.14,2.18,;-12.04,.93,;-11.14,-.32,;-9.67,.16,;-8.58,-.93,;-9.35,-2.26,;-11.91,-1.65,;-11.14,-2.98,;-13.45,-1.65,;-14.78,-.88,;-14.78,.66,;-16.11,1.43,;-16.11,2.97,;-14.78,3.74,;-13.45,2.97,;-13.45,1.43,;-16.11,-1.65,;-17.45,-.88,;-18.78,-1.65,;-18.78,-3.19,;-17.45,-3.96,;-16.11,-3.19,;-4.62,2.47,;-4.62,4.01,;-3.08,2.47,;-1.54,2.47,;-.77,1.14,;.77,1.14,;1.54,2.47,;.77,3.8,;-.77,3.8,;3.08,2.47,;4.62,2.47,;4.62,4.01,;5.95,1.7,;7.04,2.79,;8.58,2.79,;9.67,1.7,;11.14,2.18,;12.04,.93,;11.14,-.32,;9.67,.16,;8.58,-.93,;9.35,-2.26,;7.04,-.93,;5.95,.16,;5.71,-1.7,;4.38,-.93,;4.38,.61,;3.04,-1.7,;1.71,-.93,;3.04,-3.24,;1.71,-4.01,;11.91,-1.65,;11.14,-2.98,;13.45,-1.65,;14.78,-.88,;14.78,.66,;16.11,1.43,;16.11,2.97,;14.78,3.74,;13.45,2.97,;13.45,1.43,;16.11,-1.65,;16.11,-3.19,;17.45,-3.96,;18.78,-3.19,;18.78,-1.65,;17.45,-.88,)|
Structure:
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