Reaction Details |
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Target | Amine oxidase [flavin-containing] A |
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Ligand | BDBM15604 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_739780 (CHEMBL1763606) |
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Ki | 1698243.65±n/a nM |
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Citation | Shelke, SM; Bhosale, SH; Dash, RC; Suryawanshi, MR; Mahadik, KR Exploration of new scaffolds as potential MAO-A inhibitors using pharmacophore and 3D-QSAR based in silico screening. Bioorg Med Chem Lett21:2419-24 (2011) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Amine oxidase [flavin-containing] A |
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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
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BDBM15604 |
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n/a |
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Name | BDBM15604 |
Synonyms: | (R)-N-(alpha-Cyclohexylethyl),N-methyl-1H-pyrrole-2-carboxamide | N-[(1R)-1-cyclohexylethyl]-N-methyl-1H-pyrrole-2-carboxamide | pyrrole inhibitor 29 |
Type | Small organic molecule |
Emp. Form. | C14H22N2O |
Mol. Mass. | 234.3373 |
SMILES | C[C@H](C1CCCCC1)N(C)C(=O)c1ccc[nH]1 |r| |
Structure |
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