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Target
Amine oxidase [flavin-containing] B
Ligand
BDBM50568036
Substrate
n/a
Meas. Tech.
ChEMBL_2104288 (CHEMBL4812791)
IC50
0.350000±n/a nM
Citation
 Kong, H; Meng, X; Hou, R; Yang, X; Han, J; Xie, Z; Duan, Y; Liao, C Novel 1-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-indene-4-thiol derivatives as potent selective human monoamine oxidase B inhibitors: Design, SAR development, and biological evaluation. Bioorg Med Chem Lett 43:0 (2021) [PubMed]  Article 
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:
BDBM50568036
Synonyms:
CHEMBL4861804
Type:
Small organic molecule
Emp. Form.:
C21H23NS
Mol. Mass.:
321.479
SMILES:
Cc1cccc(CCSc2cccc3C(CCc23)NCC#C)c1
Structure:
Search PDB for entries with ligand similarity: