Reaction Details |
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Target | Aldo-keto reductase family 1 member C3 |
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Ligand | BDBM34643 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_864305 (CHEMBL2175576) |
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Ki | 44000±n/a nM |
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Citation | Brožic, P; Turk, S; Adeniji, AO; Konc, J; Janežic, D; Penning, TM; Lanišnik Rižner, T; Gobec, S Selective inhibitors of aldo-keto reductases AKR1C1 and AKR1C3 discovered by virtual screening of a fragment library. J Med Chem55:7417-24 (2012) [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 |
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 |
Type: | Enzyme |
Mol. Mass.: | 36859.86 |
Organism: | Homo sapiens (Human) |
Description: | P42330 |
Residue: | 323 |
Sequence: | MDSKHQCVKLNDGHFMPVLGFGTYAPPEVPRSKALEVTKLAIEAGFRHIDSAHLYNNEEQ
VGLAIRSKIADGSVKREDIFYTSKLWSTFHRPELVRPALENSLKKAQLDYVDLYLIHSPM
SLKPGEELSPTDENGKVIFDIVDLCTTWEAMEKCKDAGLAKSIGVSNFNRRQLEMILNKP
GLKYKPVCNQVECHPYFNRSKLLDFCKSKDIVLVAYSALGSQRDKRWVDPNSPVLLEDPV
LCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTAEDMKAIDGLD
RNLHYFNSDSFASHPNYPYSDEY
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BDBM34643 |
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n/a |
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Name | BDBM34643 |
Synonyms: | 3-(2-carboxyethylamino)-2-naphthalenecarboxylic acid | 3-(2-carboxyethylamino)-2-naphthoic acid | 3-(2-carboxyethylamino)naphthalene-2-carboxylic acid | 3-(3-hydroxy-3-oxopropylamino)naphthalene-2-carboxylic acid | MLS000104959 | SMR000054889 | cid_767169 |
Type | Small organic molecule |
Emp. Form. | C14H13NO4 |
Mol. Mass. | 259.2573 |
SMILES | OC(=O)CCNc1cc2ccccc2cc1C(O)=O |
Structure |
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