Reaction Details Report a problem with these data
Target
Amine oxidase [flavin-containing] B
Ligand
BDBM50453314
Substrate
n/a
Meas. Tech.
ChEMBL_123610 (CHEMBL734190)
Ki
312000±n/a nM
Citation
 Kalgutkar, AS; Castagnoli, N Synthesis of novel MPTP analogs as potential monoamine oxidase B (MAO-B) inhibitors. J Med Chem 35:4165-74 (1992) [PubMed]  Article 
Target
Name:
Amine oxidase [flavin-containing] B
Synonyms:
AOFB_BOVIN | Amine oxidase [flavin-containing] B | MAO-B | MAOB | Monoamine Oxidase Type B (MAO-B) | Monoamine oxidase | Monoamine oxidase B | Monoamine oxidase type B
Type:
PROTEIN
Mol. Mass.:
58428.94
Organism:
Bos taurus
Description:
ChEMBL_1501478
Residue:
520
Sequence:
MSSKCDVVVVGGGISGMAAAKLLHDSGLNVIVLEARDRVGGRTYTLRNQKVKYVDLGGSYVGPTQNHILRLSKELGLETYKVNEVERLIHHTKGKSYPFRGSFPSVWNPITYLDHNNLWRTMDDMGREIPSDAPWKAPLAEQWDLMTMKELLDKICWTESSKQLAILFVNLCVTAEIHEVSALWFLWYVKQCGGTTRIFSTSNGGQERKFVGGSGQVSERIMDLLGDRVKLERPVIHIDQTGENVLVETLNHELYEAKYVISAVPPVLGMKIHFNPPLPMMRNQLITRVPLGSVIKSIVYYKEPFWRNMDYCGSMIIEGEEAPVAYALDDTKPDGSYPAIIGFILAHKARKLARLTKEERLKKLCDLYAKVLGSQEALHPVHYEEKNWCEEQYSGGCYTSYFPPGIMTQYGRVLRQPVGRIYFAGTETATHWSGYMEGAVEAGERAAREILHAMGKIPEDEIWLPEPESVDVPAKPITTTFLQRHLPSVPGLLKLIGLTTIFSATALGFLAHKRGLLVRI
  
Inhibitor
Name:
BDBM50453314
Synonyms:
CHEMBL2372410
Type:
Small organic molecule
Emp. Form.:
C31H43N5O7S2
Mol. Mass.:
661.832
SMILES:
C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC(C)(C)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)O |r|
Structure:
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