Reaction Details Report a problem with these data
Target
Amine oxidase [flavin-containing] A
Ligand
BDBM472862
Substrate
n/a
Meas. Tech.
MAOA and MAOB In Vitro Activity Experiments
IC50
>100000±n/a nM
Citation
 Liu, H; Li, J; Wang, J; Su, M; Wang, S; Zhou, Y; Zhu, W; Xu, W; Li, C; Jiang, H; Chen, K Fluorinated cyclopropylamine compound, preparation method therefor, pharmaceutical composition thereof, and uses thereof US Patent  US10836743 Publication Date 11/17/2020 
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:
BDBM472862
Synonyms:
(1s,4s)-4-fluoro-4-(((trans-2-phenyl- cyclopropyl)amino)methyl)cyclo- hexylamine | US10836743, Compound A4
Type:
Small organic molecule
Emp. Form.:
C16H23FN2
Mol. Mass.:
262.3656
SMILES:
N[C@H]1CC[C@](F)(CNC2CC2c2ccccc2)CC1 |r,wU:1.0,4.4,wD:4.5,(6.77,-2.21,;5.44,-1.44,;4.1,-2.21,;2.77,-1.44,;2.77,.1,;2.77,1.64,;1.44,.87,;.1,.1,;-1.23,.87,;-2,2.21,;-2.77,.87,;-4.1,.1,;-5.44,.87,;-6.77,.1,;-6.77,-1.44,;-5.44,-2.21,;-4.1,-1.44,;4.1,.87,;5.44,.1,)|
Structure:
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