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Target
Amine oxidase [flavin-containing] A
Ligand
BDBM50517683
Substrate
n/a
Meas. Tech.
ChEMBL_1869474 (CHEMBL4370540)
IC50
8570±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] A
Synonyms:
AOFA_HUMAN | Amine oxidase (flavin-containing) A | MAO-A | MAOA | Monoamine oxidase | Monoamine oxidase type A | Monoamine oxidase type A (MAO A) | Monoamine oxidase type A (MAO A) | Monoamine oxidase type A (MAOA)
Type:
Protein
Mol. Mass.:
59689.53
Organism:
Homo sapiens (Human)
Description:
P21397
Residue:
527
Sequence:
MENQEKASIAGHMFDVVVIGGGISGLSAAKLLTEYGVSVLVLEARDRVGGRTYTIRNEHVDYVDVGGAYVGPTQNRILRLSKELGIETYKVNVSERLVQYVKGKTYPFRGAFPPVWNPIAYLDYNNLWRTIDNMGKEIPTDAPWEAQHADKWDKMTMKELIDKICWTKTARRFAYLFVNINVTSEPHEVSALWFLWYVKQCGGTTRIFSVTNGGQERKFVGGSGQVSERIMDLLGDQVKLNHPVTHVDQSSDNIIIETLNHEHYECKYVINAIPPTLTAKIHFRPELPAERNQLIQRLPMGAVIKCMMYYKEAFWKKKDYCGCMIIEDEDAPISITLDDTKPDGSLPAIMGFILARKADRLAKLHKEIRKKKICELYAKVLGSQEALHPVHYEEKNWCEEQYSGGCYTAYFPPGIMTQYGRVIRQPVGRIFFAGTETATKWSGYMEGAVEAGERAAREVLNGLGKVTEKDIWVQEPESKDVPAVEITHTFWERNLPSVSGLLKIIGFSTSVTALGFVLYKYKLLPRS
  
Inhibitor
Name:
BDBM50517683
Synonyms:
CHEMBL4550942
Type:
Small organic molecule
Emp. Form.:
C24H27F3N4S
Mol. Mass.:
460.558
SMILES:
FC(F)(F)Cc1cc2c(N[C@H]3CC[C@H](CN[C@H]4C[C@@H]4c4ccccc4)CC3)ncnc2s1 |r,wU:13.13,18.19,wD:10.9,16.15,(24.01,-13.97,;23.31,-15.18,;24.9,-14.92,;22.75,-13.68,;22.54,-16.52,;21,-16.52,;20.1,-17.78,;18.62,-17.29,;17.29,-18.06,;17.29,-19.6,;15.96,-20.37,;14.62,-19.61,;13.3,-20.37,;13.28,-21.91,;11.95,-22.68,;10.62,-21.91,;9.28,-22.67,;7.74,-22.67,;8.5,-24.01,;8.5,-25.54,;7.16,-26.31,;7.16,-27.84,;8.49,-28.62,;9.83,-27.85,;9.83,-26.31,;14.62,-22.68,;15.96,-21.92,;15.95,-17.29,;15.96,-15.75,;17.28,-14.98,;18.62,-15.74,;20.09,-15.27,)|
Structure:
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