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Target
Amine oxidase [flavin-containing] B
Ligand
BDBM50517678
Substrate
n/a
Meas. Tech.
ChEMBL_1869475 (CHEMBL4370541)
IC50
6050±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:
BDBM50517678
Synonyms:
CHEMBL4437554
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:4.7,23.25,wD:25.29,1.0,(27.01,-33.63,;28.5,-34.03,;29.83,-34.8,;31.17,-34.03,;31.17,-32.49,;29.84,-31.72,;28.51,-32.49,;32.5,-31.72,;32.5,-30.18,;31.17,-29.41,;31.17,-27.87,;32.5,-27.1,;33.84,-27.86,;35.31,-27.38,;36.22,-28.64,;37.75,-28.64,;38.52,-27.3,;39.23,-26.09,;40.11,-27.04,;37.96,-25.8,;35.31,-29.89,;33.84,-29.41,;27.17,-34.79,;27.17,-36.33,;26.39,-37.67,;27.93,-37.68,;29.25,-38.45,;29.24,-39.99,;30.57,-40.76,;31.91,-40,;31.91,-38.45,;30.58,-37.69,)|
Structure:
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