Reaction Details Report a problem with these data
Target
Baculoviral IAP repeat-containing protein 2 [256-363]
Ligand
BDBM253993
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:
BDBM253993
Synonyms:
US9481673, (S)-3
Type:
Small organic molecule
Emp. Form.:
C33H30N8O
Mol. Mass.:
554.6443
SMILES:
CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cnn(C)c2)c(n1)C#Cc1ccc2c(C)nccc2c1 |r,wU:2.2,(-6,-3.32,;-7.34,-2.55,;-7.34,-1.01,;-8.67,-.24,;-6,-.24,;-6,1.3,;-4.67,-1.01,;-3.33,-.24,;-3.33,1.3,;-2,2.07,;-.67,1.3,;.67,2.07,;.67,3.61,;2.13,4.09,;3.04,2.84,;4.57,2.68,;5.19,1.27,;6.68,.88,;4.29,.03,;2.76,.19,;2.13,1.6,;-.67,4.38,;-.67,5.92,;-2.13,6.4,;-3.04,5.15,;-4.58,5.15,;-2.13,3.91,;-.67,-.24,;-2,-1.01,;.67,-1.01,;2,-1.78,;3.33,-2.55,;3.33,-4.09,;4.67,-4.86,;6,-4.09,;7.34,-4.86,;7.34,-6.4,;8.67,-4.09,;8.67,-2.55,;7.34,-1.78,;6,-2.55,;4.67,-1.78,)|
Structure:
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