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Target
Amine oxidase [flavin-containing] B
Ligand
BDBM50517674
Substrate
n/a
Meas. Tech.
ChEMBL_1869475 (CHEMBL4370541)
IC50
20350±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:
BDBM50517674
Synonyms:
CHEMBL4558443
Type:
Small organic molecule
Emp. Form.:
C24H25F5N4S
Mol. Mass.:
496.539
SMILES:
Fc1ccc(cc1F)[C@@H]1C[C@H]1NC[C@H]1CC[C@@H](CC1)Nc1ncnc2sc(CC(F)(F)F)cc12 |r,wU:13.14,10.12,wD:16.21,8.8,(9.47,-44.07,;9.47,-42.53,;8.14,-41.76,;8.14,-40.22,;9.48,-39.45,;10.81,-40.22,;10.81,-41.76,;12.14,-42.53,;9.48,-37.92,;8.72,-36.58,;10.26,-36.58,;11.6,-35.82,;12.93,-36.59,;14.26,-35.83,;14.28,-34.29,;15.6,-33.52,;16.94,-34.28,;16.94,-35.83,;15.6,-36.59,;18.27,-33.51,;18.27,-31.97,;16.93,-31.2,;16.94,-29.67,;18.26,-28.9,;19.6,-29.66,;21.07,-29.18,;21.98,-30.43,;23.52,-30.43,;24.29,-29.1,;24.99,-27.89,;25.88,-28.84,;23.72,-27.59,;21.07,-31.69,;19.6,-31.2,)|
Structure:
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