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Target
Amine oxidase [flavin-containing] B
Ligand
BDBM50517685
Substrate
n/a
Meas. Tech.
ChEMBL_1869475 (CHEMBL4370541)
IC50
28770±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:
BDBM50517685
Synonyms:
CHEMBL4447074
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:4.7,25.29,1.0,wD:23.25,(9.54,-31.9,;11.02,-32.3,;12.36,-33.07,;13.7,-32.31,;13.69,-30.76,;12.36,-30,;11.03,-30.76,;15.03,-29.99,;15.03,-28.45,;13.69,-27.68,;13.69,-26.14,;15.02,-25.37,;16.36,-26.13,;17.83,-25.66,;18.74,-26.91,;20.28,-26.91,;21.05,-25.57,;21.75,-24.36,;22.64,-25.31,;20.48,-24.07,;17.83,-28.17,;16.36,-27.68,;9.69,-33.07,;9.69,-34.61,;8.92,-35.94,;10.45,-35.95,;11.77,-36.72,;11.77,-38.27,;13.09,-39.04,;14.43,-38.28,;14.43,-36.73,;13.1,-35.96,)|
Structure:
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