| Reaction Details |
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 | Report a problem with these data |
| Target | Carbonic anhydrase 4 |
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| Ligand | BDBM50515868 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1862729 (CHEMBL4363585) |
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| Ki | 0.390000±n/a nM |
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| Citation |  Kalinin, S; Nocentini, A; Kovalenko, A; Sharoyko, V; Bonardi, A; Angeli, A; Gratteri, P; Tennikova, TB; Supuran, CT; Krasavin, M From random to rational: A discovery approach to selective subnanomolar inhibitors of human carbonic anhydrase IV based on the Castagnoli-Cushman multicomponent reaction. Eur J Med Chem182:0 (2019) [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 |
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| Synonyms: | CA-IV | CA4 | CAH4_HUMAN | Carbonate dehydratase IV | Carbonic anhydrase | Carbonic anhydrase 4 (CA IV) | Carbonic anhydrase IV (CA IV) |
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| Type: | Enzyme |
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| Mol. Mass.: | 35037.98 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P22748 |
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| Residue: | 312 |
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| Sequence: | MRMLLALLALSAARPSASAESHWCYEVQAESSNYPCLVPVKWGGNCQKDRQSPINIVTTK
AKVDKKLGRFFFSGYDKKQTWTVQNNGHSVMMLLENKASISGGGLPAPYQAKQLHLHWSD
LPYKGSEHSLDGEHFAMEMHIVHEKEKGTSRNVKEAQDPEDEIAVLAFLVEAGTQVNEGF
QPLVEALSNIPKPEMSTTMAESSLLDLLPKEEKLRHYFRYLGSLTTPTCDEKVVWTVFRE
PIQLHREQILAFSQKLYYDKEQTVSMKDNVRPLQQLGQRTVIKSGAPGRPLPWALPALLG
PMLACLLAGFLR
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| BDBM50515868 |
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| n/a |
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| Name | BDBM50515868 |
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| Synonyms: | CHEMBL4521611 |
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| Type | Small organic molecule |
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| Emp. Form. | C25H32ClN5O4S |
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| Mol. Mass. | 534.071 |
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| SMILES | CN1CCN(CCCNC(=O)[C@H]2CC(=O)N([C@@H]2c2ccc(Cl)cc2)c2ccc(cc2)S(N)(=O)=O)CC1 |r| |
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| Structure | 
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