Reaction Details Report a problem with these data
Target
Baculoviral IAP repeat-containing protein 2 [256-363]
Ligand
BDBM253991
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:
BDBM253991
Synonyms:
US9481673, (S)-1
Type:
Small organic molecule
Emp. Form.:
C35H31N7O2
Mol. Mass.:
581.6663
SMILES:
CN[C@@H](C)C(=O)Nc1ccc(-c2c(nc3cc(C)ccn23)-c2cccnc2OC)c(n1)C#Cc1ccc2c(C)nccc2c1 |r,wU:2.2,(-6,-3.76,;-7.34,-2.99,;-7.34,-1.45,;-8.67,-.68,;-6,-.68,;-6,.86,;-4.67,-1.45,;-3.33,-.68,;-3.33,.86,;-2,1.63,;-.67,.86,;.67,1.63,;.67,3.17,;2.13,3.65,;3.04,2.4,;4.57,2.24,;5.19,.83,;6.68,.44,;4.29,-.41,;2.76,-.25,;2.13,1.16,;-.42,4.26,;-1.91,3.86,;-3,4.95,;-2.6,6.44,;-1.11,6.84,;-.02,5.75,;1.46,6.15,;2.55,5.06,;-.67,-.68,;-2,-1.45,;.67,-1.45,;2,-2.22,;3.33,-2.99,;3.33,-4.53,;4.67,-5.3,;6,-4.53,;7.34,-5.3,;7.34,-6.84,;8.67,-4.53,;8.67,-2.99,;7.34,-2.22,;6,-2.99,;4.67,-2.22,)|
Structure:
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