Reaction Details |
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Target | Carbonic anhydrase 4 |
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Ligand | BDBM11162 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2199776 (CHEMBL5112292) |
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Ki | >10000±n/a nM |
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Citation | Artasensi, A; Angeli, A; Lammi, C; Bollati, C; Gervasoni, S; Baron, G; Matucci, R; Supuran, CT; Vistoli, G; Fumagalli, L Discovery of a Potent and Highly Selective Dipeptidyl Peptidase IV and Carbonic Anhydrase Inhibitor as "Antidiabesity" Agents Based on Repurposing and Morphing of WB-4101. J Med Chem65:13946-13966 (2022) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Carbonic anhydrase 4 |
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Name: | Carbonic anhydrase 4 |
Synonyms: | CA-IV | CA4 | CAH4_HUMAN | Carbonate dehydratase IV | Carbonic anhydrase | Carbonic anhydrase 4 (CA IV) | Carbonic anhydrase IV (CA IV) |
Type: | Enzyme |
Mol. Mass.: | 35037.98 |
Organism: | Homo sapiens (Human) |
Description: | P22748 |
Residue: | 312 |
Sequence: | MRMLLALLALSAARPSASAESHWCYEVQAESSNYPCLVPVKWGGNCQKDRQSPINIVTTK
AKVDKKLGRFFFSGYDKKQTWTVQNNGHSVMMLLENKASISGGGLPAPYQAKQLHLHWSD
LPYKGSEHSLDGEHFAMEMHIVHEKEKGTSRNVKEAQDPEDEIAVLAFLVEAGTQVNEGF
QPLVEALSNIPKPEMSTTMAESSLLDLLPKEEKLRHYFRYLGSLTTPTCDEKVVWTVFRE
PIQLHREQILAFSQKLYYDKEQTVSMKDNVRPLQQLGQRTVIKSGAPGRPLPWALPALLG
PMLACLLAGFLR
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BDBM11162 |
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n/a |
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Name | BDBM11162 |
Synonyms: | (1R)-3-oxo-3-[3-(trifluoroethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorobenzyl)propylamine | (3R)-3-amino-1-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[3,4-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one hydrochloride | CHEMBL393336 | MK-0431 | Sitagliptin | Sitagliptin (13) | Triazolopiperazine Analogue 1 | US10479798, Compound MK0431 |
Type | Small organic molecule |
Emp. Form. | C16H15F6N5O |
Mol. Mass. | 407.3136 |
SMILES | N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F |r| |
Structure |
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