Reaction Details Report a problem with these data
Target
Baculoviral IAP repeat-containing protein 2 [256-363]
Ligand
BDBM254006
Substrate
n/a
Meas. Tech.
Binding Assays (DELFIA)
Temperature
298.15±n/a K
IC50
2±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:
BDBM254006
Synonyms:
US9481673, (S)-16
Type:
Small organic molecule
Emp. Form.:
C34H29N7O2
Mol. Mass.:
567.6398
SMILES:
CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3ccccn23)-c2cccnc2OC)c(n1)C#Cc1ccc2c(C)nccc2c1 |r,wU:2.2,(-6,-4.23,;-7.34,-3.46,;-7.34,-1.92,;-8.67,-1.15,;-6,-1.15,;-6,.39,;-4.67,-1.92,;-3.33,-1.15,;-3.33,.39,;-2,1.16,;-.67,.39,;.67,1.16,;.51,2.69,;1.91,3.32,;2.94,2.17,;4.48,2.17,;5.25,.84,;4.48,-.49,;2.94,-.49,;2.17,.84,;-.83,3.46,;-2.16,2.69,;-3.5,3.46,;-3.5,5,;-2.16,5.77,;-.83,5,;.51,5.77,;.51,7.31,;-.67,-1.15,;-2,-1.92,;.67,-1.92,;2,-2.69,;3.33,-3.46,;3.33,-5,;4.67,-5.77,;6,-5,;7.34,-5.77,;7.34,-7.31,;8.67,-5,;8.67,-3.46,;7.34,-2.69,;6,-3.46,;4.67,-2.69,)|
Structure:
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