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Target
Baculoviral IAP repeat-containing protein 2
Ligand
BDBM139104
Substrate
n/a
Meas. Tech.
Fluorescence Polarization (FP) Based Competitive Assay
pH
7.5±n/a
IC50
<1000±n/a nM
Comments
extracted
Citation
 Wang, S; Sheng, R; Sun, H; Liu, L; Lu, J; McEachern, 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:
BDBM139104
Synonyms:
US8883771, 50
Type:
Small organic molecule
Emp. Form.:
C56H82N12O8
Mol. Mass.:
1051.3259
SMILES:
CN[C@@H](C)C(=O)N[C@H]1CN(CC[C@H]2CCC(N2C1=O)C(=O)N[C@H]1C[C@H](C1)c1ccccc1)C(=O)NCCCCCCNC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)NC(=O)[C@H](C)NC)C(=O)N[C@H]1C[C@H](C1)c1ccccc1 |r,wU:12.16,7.6,2.2,59.65,22.23,24.28,wD:47.55,50.68,54.61,66.71,68.76,(-8.8,6.82,;-9.57,5.49,;-8.8,4.15,;-7.26,4.15,;-9.57,2.82,;-11.11,2.82,;-8.8,1.49,;-9.57,.15,;-8.64,-1.07,;-8.84,-2.6,;-10.06,-3.53,;-11.59,-3.33,;-12.52,-2.11,;-14.04,-2.39,;-14.77,-1.04,;-13.71,.08,;-12.32,-.59,;-11.1,.35,;-11.5,1.84,;-13.99,1.59,;-12.82,2.59,;-15.45,2.11,;-15.73,3.62,;-17,4.49,;-16.12,5.76,;-14.85,4.89,;-16.4,7.28,;-17.86,7.79,;-18.14,9.3,;-16.96,10.3,;-15.51,9.79,;-15.23,8.28,;-7.5,-3.37,;-7.5,-4.91,;-6.17,-2.6,;-4.84,-3.37,;-3.5,-2.6,;-2.17,-3.37,;-.84,-2.6,;.5,-3.37,;1.83,-2.6,;3.17,-3.37,;4.5,-2.6,;4.5,-1.06,;5.83,-3.37,;5.63,-4.89,;6.57,-6.12,;8.1,-6.32,;8.61,-7.77,;10.15,-7.73,;10.59,-6.25,;9.32,-5.38,;9.52,-3.85,;11.01,-3.45,;8.58,-2.63,;7.05,-2.43,;9.35,-1.3,;8.58,.04,;7.04,.04,;9.35,1.37,;10.89,1.37,;8.58,2.7,;9.35,4.04,;12.04,-5.74,;13.21,-6.74,;12.32,-4.22,;13.77,-3.71,;15.16,-4.37,;15.82,-2.98,;14.43,-2.32,;17.28,-2.47,;17.56,-.95,;19.01,-.44,;20.18,-1.44,;19.9,-2.95,;18.45,-3.47,)|
Structure:
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