| Reaction Details |
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 | Report a problem with these data |
| Target | Aldo-keto reductase family 1 member C3 |
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| Ligand | BDBM7585 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2014953 (CHEMBL4668531) |
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| Ki | 1400±n/a nM |
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| Citation |  Liu, Y; He, S; Chen, Y; Liu, Y; Feng, F; Liu, W; Guo, Q; Zhao, L; Sun, H Overview of AKR1C3: Inhibitor Achievements and Disease Insights. J Med Chem63:11305-11329 (2020) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Aldo-keto reductase family 1 member C3 |
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| Name: | Aldo-keto reductase family 1 member C3 |
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| Synonyms: | 17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3) | 3-alpha-HSD type 2 | AK1C3_HUMAN | AKR1C3 | Aldo-keto reductase family 1 member C3 | Aldo-keto reductase family 1 member C3 (AK1C3) | Aldo-keto reductase family 1 member C3 (AK1C3a) | Aldo-keto reductase family 1 member C3 (AKR1C3) | Aldo-keto-reductase family 1 member C3 | DDH1 | Dihydrodiol dehydrogenase 3 | Dihydrodiol dehydrogenase type I | Estradiol 17-beta-dehydrogenase | HSD17B5 | KIAA0119 | PGFS | Prostaglandin F synthase | Testosterone 17-beta-dehydrogenase 5 | Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase |
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| Type: | Enzyme |
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| Mol. Mass.: | 36859.86 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P42330 |
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| Residue: | 323 |
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| Sequence: | MDSKHQCVKLNDGHFMPVLGFGTYAPPEVPRSKALEVTKLAIEAGFRHIDSAHLYNNEEQ
VGLAIRSKIADGSVKREDIFYTSKLWSTFHRPELVRPALENSLKKAQLDYVDLYLIHSPM
SLKPGEELSPTDENGKVIFDIVDLCTTWEAMEKCKDAGLAKSIGVSNFNRRQLEMILNKP
GLKYKPVCNQVECHPYFNRSKLLDFCKSKDIVLVAYSALGSQRDKRWVDPNSPVLLEDPV
LCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTAEDMKAIDGLD
RNLHYFNSDSFASHPNYPYSDEY
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| BDBM7585 |
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| n/a |
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| Name | BDBM7585 |
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| Synonyms: | (R,S)-Roscovitine | 2,6,9-Trisubstituted purine deriv. 27 | 2-{[6-(benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}butan-1-ol | CHEMBL52387 | US10294218, Example Roscovitine | US9617225, Roscovitine |
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| Type | Small organic molecule |
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| Emp. Form. | C19H26N6O |
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| Mol. Mass. | 354.4493 |
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| SMILES | CCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1 |
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| Structure | 
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