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Target
Carboxylesterase 1D
Ligand
BDBM50448896
Substrate
n/a
Meas. Tech.
ChEMBL_1296363 (CHEMBL3129773)
IC50
200±n/a nM
Citation
 Otrubova, K; Cravatt, BF; Boger, DL Design, synthesis, and characterization ofa-ketoheterocycles that additionally target the cytosolic port Cys269 of fatty acid amide hydrolase. J Med Chem 57:1079-89 (2014) [PubMed]  Article 
Target
Name:
Carboxylesterase 1D
Synonyms:
Ces1 | Ces1d | Ces3 | EST1D_MOUSE
Type:
n/a
Mol. Mass.:
61787.55
Organism:
Mus musculus
Description:
ChEMBL_108149
Residue:
565
Sequence:
MGLYPLIWLSLAACTAWGYPSSPPVVNTVKGKVLGKYVNLEGFTQPVAVFLGVPFAKPPLGSLRFAPPQPAEPWSFVKNTTSYPPMCSQDAVGGQVLSELFTNRKENIPLQFSEDCLYLNIYTPADLTKNSRLPVMVWIHGGGLVVGGASTYDGLALSAHENVVVVTIQYRLGIWGFFSTGDEHSRGNWGHLDQVAALRWVQDNIANFGGNPGSVTIFGESAGGFSVSVLVLSPLAKNLFHRAISESGVSLTAALITTDVKPIAGLVATLSGCKTTTSAVMVHCLRQKTEDELLETSLKLNLFKLDLLGNPKESYPFLPTVIDGVVLPKAPEEILAEKSFSTVPYIVGINKQEFGWIIPTLMGYPLAEGKLDQKTANSLLWKSYPTLKISENMIPVVAEKYLGGTDDLTKKKDLFQDLMADVVFGVPSVIVSRSHRDAGASTYMYEFEYRPSFVSAMRPKAVIGDHGDEIFSVFGSPFLKDGASEEETNLSKMVMKFWANFARNGNPNGGGLPHWPEYDQKEGYLKIGASTQAAQRLKDKEVSFWAELRAKESAQRPSHREHVEL
  
Inhibitor
Name:
BDBM50448896
Synonyms:
CHEMBL3125307
Type:
Small organic molecule
Emp. Form.:
C23H23N3O2
Mol. Mass.:
373.4476
SMILES:
O=C(CCCCCCc1ccccc1)c1ncc(o1)-c1ccc(CC#N)cn1
Structure:
Search PDB for entries with ligand similarity: