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Target
Amine oxidase [flavin-containing] B
Ligand
BDBM50517679
Substrate
n/a
Meas. Tech.
ChEMBL_1869475 (CHEMBL4370541)
IC50
75630±n/a nM
Citation
 Wang, X; Su, M; Li, Y; Liu, T; Wang, Y; Chen, Y; Tang, L; He, YP; Ding, X; Yu, F; Shen, J; Li, J; Zhou, Y; Chen, YL; Xiong, B Tranylcypromine and 6-trifluoroethyl thienopyrimidine hybrid as LSD1 inhibitor. Bioorg Med Chem Lett 29:844-847 (2019) [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:
BDBM50517679
Synonyms:
CHEMBL4530202
Type:
Small organic molecule
Emp. Form.:
C23H25F3N4S
Mol. Mass.:
446.532
SMILES:
[H][C@]1(CC[C@@H](CC1)Nc1ncnc2sc(CC(F)(F)F)cc12)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:4.7,25.29,wD:23.25,1.0,(45.13,-11.67,;46.62,-12.08,;47.95,-12.84,;49.29,-12.08,;49.29,-10.53,;47.96,-9.77,;46.63,-10.54,;50.62,-9.76,;50.62,-8.22,;49.29,-7.45,;49.29,-5.92,;50.62,-5.15,;51.96,-5.91,;53.43,-5.43,;54.33,-6.68,;55.87,-6.68,;56.64,-5.35,;57.34,-4.14,;58.23,-5.09,;56.08,-3.84,;53.43,-7.94,;51.96,-7.45,;45.29,-12.84,;45.29,-14.38,;44.51,-15.71,;46.05,-15.72,;47.37,-16.49,;47.36,-18.04,;48.69,-18.81,;50.02,-18.05,;50.03,-16.5,;48.7,-15.73,)|
Structure:
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