Reaction Details Report a problem with these data
Target
Tumor necrosis factor receptor superfamily member 10B
Ligand
BDBM89472
Substrate
n/a
EC50
>12500±n/a nM
Citation
 PubChem, PC Dose Response confirmation of uHTS hits for a small molecule Caspase-8 TRAIL sensitizers in a luminescence panel assay PubChem Bioassay (2013)[AID] 
Target
Name:
Tumor necrosis factor receptor superfamily member 10B
Synonyms:
DR5 | KILLER | TNFRSF10B | TR10B_HUMAN | TRAILR2 | TRICK2 | ZTNFR9 | tumor necrosis factor receptor superfamily member 10B isoform 1 precursor [Homo sapiens]
Type:
Enzyme Catalytic Domain
Mol. Mass.:
47869.76
Organism:
Homo sapiens (Human)
Description:
gi_224494019
Residue:
440
Sequence:
MEQRGQNAPAASGARKRHGPGPREARGARPGPRVPKTLVLVVAAVLLLVSAESALITQQDLAPQQRAAPQQKRSSPSEGLCPPGHHISEDGRDCISCKYGQDYSTHWNDLLFCLRCTRCDSGEVELSPCTTTRNTVCQCEEGTFREEDSPEMCRKCRTGCPRGMVKVGDCTPWSDIECVHKESGTKHSGEVPAVEETVTSSPGTPASPCSLSGIIIGVTVAAVVLIVAVFVCKSLLWKKVLPYLKGICSGGGGDPERVDRSSQRPGAEDNVLNEIVSILQPTQVPEQEMEVQEPAEPTGVNMLSPGESEHLLEPAEAERSQRRRLLVPANEGDPTETLRQCFDDFADLVPFDSWEPLMRKLGLMDNEIKVAKAEAAGHRDTLYTMLIKWVNKTGRDASVHTLLDALETLGERLAKQKIEDHLLSSGKFMYLEGNADSAMS
  
Inhibitor
Name:
BDBM89472
Synonyms:
9H-fluoren-9-ylmethyl N-[(2S,6R,8Z,11R)-5,12-bis(oxidanylidene)-6-[2-oxidanylidene-2-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]ethyl]-2-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]carbamate | 9H-fluoren-9-ylmethyl N-[(2S,6R,8Z,11R)-6-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]carbamate | MLS002320433 | N-[(2S,6R,8Z,11R)-6-[2-[[(1S)-1-benzyl-2-hydroxy-ethyl]amino]-2-keto-ethyl]-5,12-diketo-2-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]carbamic acid 9H-fluoren-9-ylmethyl ester | N-[(2S,6R,8Z,11R)-6-[2-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-2-oxoethyl]-5,12-dioxo-2-phenyl-1-oxa-4-azacyclododec-8-en-11-yl]carbamic acid 9H-fluoren-9-ylmethyl ester | SMR001338058 | cid_44201920
Type:
Small organic molecule
Emp. Form.:
C42H43N3O7
Mol. Mass.:
701.8067
SMILES:
OC[C@H](Cc1ccccc1)NC(=O)C[C@H]1C\C=C/C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc23)C(=O)O[C@H](CNC1=O)c1ccccc1 |c:17|
Structure:
Search PDB for entries with ligand similarity: