Reaction Details Report a problem with these data
Target
Amine oxidase [flavin-containing] B
Ligand
BDBM244016
Substrate
n/a
Meas. Tech.
MAO-B Inhibitory Activity
pH
7.5±n/a
Temperature
298.15±n/a K
IC50
>100000±n/a nM
Comments
extracted
Citation
 Matsumoto, S; Hattori, Y; Toyofuku, M; Morimoto, S; Daini, M; Kojima, T; Kaku, T; Ito, M Cyclopropanamine compound and use thereof US Patent  US10053456 Publication Date 8/21/2018 
Target
Name:
Amine oxidase [flavin-containing] B
Synonyms:
AOFB_HUMAN | MAO-B | MAOB | Monoamine oxidase type B | Monoamine oxidase type B (MAO B) | Monoamine oxidase type B (MAO B) | Monoamine oxidase type B (MAOB)
Type:
Protein
Mol. Mass.:
58768.76
Organism:
Homo sapiens (Human)
Description:
P27338
Residue:
520
Sequence:
MSNKCDVVVVGGGISGMAAAKLLHDSGLNVVVLEARDRVGGRTYTLRNQKVKYVDLGGSYVGPTQNRILRLAKELGLETYKVNEVERLIHHVKGKSYPFRGPFPPVWNPITYLDHNNFWRTMDDMGREIPSDAPWKAPLAEEWDNMTMKELLDKLCWTESAKQLATLFVNLCVTAETHEVSALWFLWYVKQCGGTTRIISTTNGGQERKFVGGSGQVSERIMDLLGDRVKLERPVIYIDQTRENVLVETLNHEMYEAKYVISAIPPTLGMKIHFNPPLPMMRNQMITRVPLGSVIKCIVYYKEPFWRKKDYCGTMIIDGEEAPVAYTLDDTKPEGNYAAIMGFILAHKARKLARLTKEERLKKLCELYAKVLGSLEALEPVHYEEKNWCEEQYSGGCYTTYFPPGILTQYGRVLRQPVDRIYFAGTETATHWSGYMEGAVEAGERAAREILHAMGKIPEDEIWQSEPESVDVPAQPITTTFLERHLPSVPGLLRLIGLTTIFSATALGFLAHKRGLLVRV
  
Inhibitor
Name:
BDBM244016
Synonyms:
4-((4-((((1R,2R)-2- (4-((4,4-difluoro- cyclohexyl)- carbamoyl)-2- thienyl)cyclo- propyl)amino)methyl) piperidin-1- yl)methyl)benzoic acid | US10053456, 101 | US10414761, Example 101 | US10968213, Example 101 | US9718814, 101 | US9920047, 101
Type:
Small organic molecule
Emp. Form.:
C28H35F2N3O3S
Mol. Mass.:
531.658
SMILES:
OC(=O)c1ccc(CN2CCC(CN[C@@H]3C[C@H]3c3cc(cs3)C(=O)NC3CCC(F)(F)CC3)CC2)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: