Reaction Details Report a problem with these data
Target
Monoacylglycerol lipase ABHD6
Ligand
BDBM444468
Substrate
n/a
Meas. Tech.
Fluorescent Assay
IC50
55±n/a nM
Citation
 Makriyannis, A; Malamas, M; Lamani, M; Farah, SI ABHD6 and dual ABHD6/MGL inhibitors and their uses US Patent  US10662159 Publication Date 5/26/2020 
Target
Name:
Monoacylglycerol lipase ABHD6
Synonyms:
2-arachidonoylglycerol hydrolase | ABHD6 | ABHD6_HUMAN | Abhydrolase domain-containing protein 6 | Monoacylglycerol lipase ABHD6
Type:
PROTEIN
Mol. Mass.:
38341.83
Organism:
Homo sapiens (Human)
Description:
ChEMBL_105457
Residue:
337
Sequence:
MDLDVVNMFVIAGGTLAIPILAFVASFLLWPSALIRIYYWYWRRTLGMQVRYVHHEDYQFCYSFRGRPGHKPSILMLHGFSAHKDMWLSVVKFLPKNLHLVCVDMPGHEGTTRSSLDDLSIDGQVKRIHQFVECLKLNKKPFHLVGTSMGGQVAGVYAAYYPSDVSSLCLVCPAGLQYSTDNQFVQRLKELQGSAAVEKIPLIPSTPEEMSEMLQLCSYVRFKVPQQILQGLVDVRIPHNNFYRKLFLEIVSEKSRYSLHQNMDKIKVPTQIIWGKQDQVLDVSGADMLAKSIANCQVELLENCGHSVVMERPRKTAKLIIDFLASVHNTDNNKKLD
  
Inhibitor
Name:
BDBM444468
Synonyms:
US10662159, Example 58
Type:
Small organic molecule
Emp. Form.:
C17H16F7NO3
Mol. Mass.:
415.3027
SMILES:
Fc1cccc(OC2C[C@@]3(C2)CCN(C3)C(=O)OC(C(F)(F)F)C(F)(F)F)c1 |r,wD:9.8,(-17.05,-2.89,;-15.52,-3.05,;-14.89,-4.46,;-13.36,-4.62,;-12.46,-3.38,;-13.08,-1.97,;-12.18,-.72,;-10.65,-.88,;-9.45,.08,;-8.48,-1.11,;-9.68,-2.08,;-7.71,-2.45,;-6.2,-2.13,;-6.04,-.59,;-7.45,.03,;-4.71,.18,;-3.38,-.59,;-4.71,1.72,;-3.38,2.49,;-3.38,4.03,;-3.38,5.57,;-1.84,4.03,;-4.92,4.03,;-2.04,1.72,;-2.81,.38,;-1.27,3.05,;-.71,.95,;-14.62,-1.81,)|
Structure:
Search PDB for entries with ligand similarity: