Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAmine oxidase [flavin-containing] A
LigandBDBM254581
Substrate/Competitorn/a
Meas. Tech.Fluorescence-Based (Inhibitor)-Screening Assay
pH7.5±n/a
Temperature310.15±n/a K
IC50>100000±n/a nM
Commentsextracted
Citation Ortega Muñoz, AFyfe, MCMartinell Pedemonte, MEstiarte Martínez, MValls Vidal, NKurz, GCastro Palomino Laria, JC (Hetero)aryl cyclopropylamine compounds as LSD1 inhibitors US Patent US9469597 Publication Date 10/18/2016
More Info.:Get all data from this article,  Assay Method
 
Amine oxidase [flavin-containing] A
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:
MENQEKASIAGHMFDVVVIGGGISGLSAAKLLTEYGVSVLVLEARDRVGGRTYTIRNEHV
DYVDVGGAYVGPTQNRILRLSKELGIETYKVNVSERLVQYVKGKTYPFRGAFPPVWNPIA
YLDYNNLWRTIDNMGKEIPTDAPWEAQHADKWDKMTMKELIDKICWTKTARRFAYLFVNI
NVTSEPHEVSALWFLWYVKQCGGTTRIFSVTNGGQERKFVGGSGQVSERIMDLLGDQVKL
NHPVTHVDQSSDNIIIETLNHEHYECKYVINAIPPTLTAKIHFRPELPAERNQLIQRLPM
GAVIKCMMYYKEAFWKKKDYCGCMIIEDEDAPISITLDDTKPDGSLPAIMGFILARKADR
LAKLHKEIRKKKICELYAKVLGSQEALHPVHYEEKNWCEEQYSGGCYTAYFPPGIMTQYG
RVIRQPVGRIFFAGTETATKWSGYMEGAVEAGERAAREVLNGLGKVTEKDIWVQEPESKD
VPAVEITHTFWERNLPSVSGLLKIIGFSTSVTALGFVLYKYKLLPRS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM254581
n/a
NameBDBM254581
Synonyms:US10214477, Example 40 | US9469597, 40 | US9670136, 40 N1-((trans)-2-(4-cyclopropylphenyl)cyclopropyl)cyclohexane-1,4-diamine
TypeSmall organic molecule
Emp. Form.C18H26N2
Mol. Mass.270.4124
SMILESNC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(cc1)C1CC1 |r,wU:10.12,wD:8.8,(7.54,3.36,;6.21,2.59,;6.21,1.05,;4.87,.28,;3.54,1.05,;3.54,2.59,;4.87,3.36,;2.21,.28,;.87,1.05,;.1,2.39,;-.67,1.05,;-2,.28,;-3.33,1.05,;-4.67,.28,;-4.67,-1.26,;-3.33,-2.03,;-2,-1.26,;-6,-2.03,;-7.54,-2.03,;-6.77,-3.36,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: