Reaction Details  Report a problem with these data
Target
Amine oxidase [flavin-containing] A
Ligand
BDBM10750
Substrate
n/a
Meas. Tech.
ChEMBL_1984127 (CHEMBL4617533)
IC50
>100000±n/a nM
Citation
 Talele, TT Acetylene Group, Friend or Foe in Medicinal Chemistry. J Med Chem 63:5625-5663 (2020) [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:
BDBM10750
Synonyms:
(3R)-3-(prop-2-yn-1-ylamino)-2,3-dihydro-1H-inden-5-yl N-ethyl-N-methylcarbamate hydrochloride | Aminoindan deriv. (R)18b | Aminoindan deriv. (R)18b.HCl | N-propargylaminoindan (R)18b.HCl | R-CPAI
Type:
Small organic molecule
Emp. Form.:
C16H20N2O2
Mol. Mass.:
272.3422
SMILES:
CCN(C)C(=O)Oc1ccc2CC[C@@H](NCC#C)c2c1 |r|
Structure:
Search PDB for entries with ligand similarity: