Reaction Details |
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Target | Carbonic anhydrase 1 |
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Ligand | BDBM50031589 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1441647 (CHEMBL3377093) |
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Kd | >10000±n/a nM |
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Citation | Dudutiene, V; Matuliene, J; Smirnov, A; Timm, DD; Zubriene, A; Baranauskiene, L; Morkunaite, V; Smirnoviene, J; Michailoviene, V; Juozapaitiene, V; Mickeviciute, A; Kazokaite, J; Bak?yte, S; Kasiliauskaite, A; Jachno, J; Revuckiene, J; Ki?onaite, M; Pilipuityte, V; Ivanauskaite, E; Milinaviciute, G; Smirnovas, V; Petrikaite, V; Kairys, V; Petrauskas, V; Norvai?as, P; Linge, D; Gibie?a, P; Capkauskaite, E; Zak?auskas, A; Kazlauskas, E; Manakova, E; Gra?ulis, S; Ladbury, JE; Matulis, D Discovery and characterization of novel selective inhibitors of carbonic anhydrase IX. J Med Chem57:9435-46 (2014) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Carbonic anhydrase 1 |
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Name: | Carbonic anhydrase 1 |
Synonyms: | CA-I | CA1 | CAB | CAH1_HUMAN | Carbonate dehydratase I | Carbonic anhydrase | Carbonic anhydrase 1 (CA I) | Carbonic anhydrase 1 (CA-I) | Carbonic anhydrase 1 (Recombinant CA I) | Carbonic anhydrase 2 (CA II) | Carbonic anhydrase B | Carbonic anhydrase I | Carbonic anhydrase I (CA I) | Carbonic anhydrase I (CA-I) | Carbonic anhydrase I (CAI) | Carbonic anhydrase I (hCA I) | Carbonic anhydrase isoenzyme I (hCA I) | hCA |
Type: | Enzyme |
Mol. Mass.: | 28873.37 |
Organism: | Homo sapiens (Human) |
Description: | P00915 |
Residue: | 261 |
Sequence: | MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEI
INVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELH
VAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNF
DPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAV
PMQHNNRPTQPLKGRTVRASF
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BDBM50031589 |
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n/a |
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Name | BDBM50031589 |
Synonyms: | CHEMBL3359179 |
Type | Small organic molecule |
Emp. Form. | C16H23F3N2O3S2 |
Mol. Mass. | 412.491 |
SMILES | NS(=O)(=O)c1c(F)c(F)c(SCCO)c(F)c1NC1CCCCCCC1 |
Structure |
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