Reaction Details Report a problem with these data
Target
Baculoviral IAP repeat-containing protein 2 [256-363]
Ligand
BDBM254004
Substrate
n/a
Meas. Tech.
Binding Assays (DELFIA)
Temperature
298.15±n/a K
IC50
1±n/a nM
Comments
extracted
Citation
 Reiser, U 6-alkynyl-pyridine derivatives US Patent  US9481673 Publication Date 11/1/2016 
Target
Name:
Baculoviral IAP repeat-containing protein 2 [256-363]
Synonyms:
API1 | BIRC2 | BIRC2_HUMAN | Cellular inhibitor of apoptosis 1 (c-IAP1/BIR3) | Cellular inhibitor of apoptosis 1 BIR3 domain (c-IAP1 BIR3) | IAP repeat-containing protein 2 (cIAP1) BIR-3 | MIHB | RNF48
Type:
Enzyme
Mol. Mass.:
12600.71
Organism:
Homo sapiens (Human)
Description:
Human cIAP BIR3 domain (256-363 aa)
Residue:
108
Sequence:
TLRFSISNLSMQTHAARMRTFMYWPSSVPVQPEQLASAGFYYVGRNDDVKCFCCDGGLRCWESGDDPWVEHAKWFPRCEFLIRMKGQEFVDEIQGRYPHLLEQLLSTS
  
Inhibitor
Name:
BDBM254004
Synonyms:
US9481673, (S)-14
Type:
Small organic molecule
Emp. Form.:
C35H31N7O3
Mol. Mass.:
597.6657
SMILES:
CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2ccc(OC)nc2)c(n1)C#Cc1ccc2n(C)c(=O)ccc2c1 |r,wU:2.2,(-6.67,-4.1,;-8,-3.33,;-8,-1.79,;-9.34,-1.02,;-6.67,-1.02,;-6.67,.52,;-5.33,-1.79,;-4,-1.02,;-4,.52,;-2.67,1.29,;-1.33,.52,;,1.29,;,2.83,;1.46,3.3,;2.37,2.06,;3.9,1.9,;4.53,.49,;6.02,.09,;3.62,-.76,;2.09,-.6,;1.46,.81,;-1.09,3.92,;-.69,5.4,;-1.78,6.49,;-3.27,6.09,;-4.36,7.18,;-5.84,6.78,;-3.67,4.61,;-2.58,3.52,;-1.33,-1.02,;-2.67,-1.79,;,-1.79,;1.33,-2.56,;2.67,-3.33,;2.67,-4.87,;4,-5.64,;5.33,-4.87,;6.67,-5.64,;6.67,-7.18,;8,-4.87,;9.34,-5.64,;8,-3.33,;6.67,-2.56,;5.33,-3.33,;4,-2.56,)|
Structure:
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