| Reaction Details |
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 | Report a problem with these data |
| Target | Amine oxidase [flavin-containing] A |
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| Ligand | BDBM11016 |
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| Substrate/Competitor | BDBM10990 |
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| Meas. Tech. | MAO Inhibition Assay |
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| pH | 7.4±n/a |
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| Temperature | 311.15±n/a K |
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| Ki | 5±0.04 nM |
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| Citation |  Chimenti, F; Maccioni, E; Secci, D; Bolasco, A; Chimenti, P; Granese, A; Befani, O; Turini, P; Alcaro, S; Ortuso, F; Cirilli, R; La Torre, F; Cardia, MC; Distinto, S Synthesis, molecular modeling studies, and selective inhibitory activity against monoamine oxidase of 1-thiocarbamoyl-3,5-diaryl-4,5-dihydro-(1H)- pyrazole derivatives. J Med Chem48:7113-22 (2005) [PubMed] Article |
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| More Info.: | Get all data from this article, Inhibition_Run data, Solution Info, Assay Method |
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| Amine oxidase [flavin-containing] A |
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| Name: | Amine oxidase [flavin-containing] A |
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| Synonyms: | AOFA_BOVIN | Amine oxidase [flavin-containing] A | MAO-A | MAOA | Monoamine Oxidase Type A (MAO-A) | Monoamine oxidase | Monoamine oxidase A | Monoamine oxidase type A |
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| Type: | PROTEIN |
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| Mol. Mass.: | 59764.63 |
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| Organism: | Bos taurus |
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| Description: | ChEMBL_1501477 |
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| Residue: | 527 |
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| Sequence: | MESLQKTSDAGQMFDVVVIGGGISGLSAAKLLAEHEVNVLVLEARERVGGRTYTVRNEHV
DYVDVGGAYVGPTQNRILRLSKQLGLETYKVNVNERLVHYVKGKTYPFRGAFPPVWNPIA
YLDYNNLWRTMDNMGKEIPADAPWEAPHAVEWDKMTMKDLIEKICWTKTARQFASLFVNI
NVTSEPHEVSALWFLWYVKQCGGTTRIFSITNGGQERKFVGGSGQVSERIMQLLGDRVKL
RSPVTYVDQSSENITVETLNRELYECRYVISAIPPTLTAKIHFRPELPSERNQLIQRLPM
GAVIKCMMYYKEAFWKKKDYCGCMIIEDEEAPISITLDDTKPDGSLPAIMGFILARKADR
LAKVHKDIRKRKICELYAKVLGSQEALHPVHYEEKNWCQEQYSGGCYTAYFPPGIMTQYG
RVIRQPVGRIYFAGTETATQWSGYMEGAVEAGERAAREVLNALGKLSAKDIWIQEPEAED
VPAVEITPSFWERNLPSVSGLLKIVGFSTSITALWFVMYRFRLLSRS
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| BDBM11016 |
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| BDBM10990 |
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| Name | BDBM11016 |
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| Synonyms: | (-)-(S)4 | (5S)-5-(4-chlorophenyl)-3-(4-fluorophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide | 1-thiocarbamoyl-3,5-diaryl-4,5-dihydro-(1H)-pyrazole deriv. 4S |
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| Type | Small organic molecule |
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| Emp. Form. | C16H13ClFN3S |
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| Mol. Mass. | 333.811 |
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| SMILES | NC(=S)N1N=C(C[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 |r,c:4| |
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| Structure | 
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