Reaction Details Report a problem with these data
Target
Baculoviral IAP repeat-containing protein 2 [256-363]
Ligand
BDBM254000
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:
BDBM254000
Synonyms:
US9481673, (S)-10
Type:
Small organic molecule
Emp. Form.:
C35H31N7O3
Mol. Mass.:
597.6657
SMILES:
CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cccnc2OC)c(n1)C#Cc1ccc2n(C)c(=O)ccc2c1 |r,wU:2.2,(-6.67,-3.76,;-8,-2.99,;-8,-1.45,;-9.34,-.68,;-6.67,-.68,;-6.67,.86,;-5.33,-1.45,;-4,-.68,;-4,.86,;-2.67,1.63,;-1.33,.86,;,1.63,;,3.17,;1.46,3.65,;2.37,2.4,;3.9,2.24,;4.53,.83,;6.02,.44,;3.62,-.41,;2.09,-.25,;1.46,1.16,;-1.09,4.26,;-2.58,3.86,;-3.67,4.95,;-3.27,6.44,;-1.78,6.84,;-.69,5.75,;.8,6.15,;1.89,5.06,;-1.33,-.68,;-2.67,-1.45,;,-1.45,;1.33,-2.22,;2.67,-2.99,;2.67,-4.53,;4,-5.3,;5.33,-4.53,;6.67,-5.3,;6.67,-6.84,;8,-4.53,;9.34,-5.3,;8,-2.99,;6.67,-2.22,;5.33,-2.99,;4,-2.22,)|
Structure:
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