| Reaction Details |
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 | Report a problem with these data |
| Target | Solute carrier family 12 member 5 |
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| Ligand | BDBM43871 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Identification of Novel Modulators of Cl- dependent Transport Process via HTS: Dose-Dependent Assay 2 with KCC2 |
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| EC50 | 508±n/a nM |
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| Citation |  PubChem, PC Identification of Novel Modulators of Cl- dependent Transport Process via HTS: Dose-Dependent Assay 2 with KCC2 PubChem Bioassay(2009)[AID] |
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| More Info.: | Get all data from this article, Solution Info, Assay Method |
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| Solute carrier family 12 member 5 |
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| Name: | Solute carrier family 12 member 5 |
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| Synonyms: | Electroneutral potassium-chloride cotransporter 2 | K-Cl cotransporter 2 | KCC2 | KIAA1176 | Neuronal K-Cl cotransporter | S12A5_HUMAN | SLC12A5 | Solute carrier family 12 member 5 | electroneutral potassium-chloride cotransporter KCC2 | hKCC2 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 126185.18 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_828024 |
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| Residue: | 1139 |
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| Sequence: | MSRRFTVTSLPPAGPARSPDPESRRHSVADPRHLPGEDVKGDGNPKESSPFINSTDTEKG
KEYDGKNMALFEEEMDTSPMVSSLLSGLANYTNLPQGSREHEEAENNEGGKKKPVQAPRM
GTFMGVYLPCLQNIFGVILFLRLTWVVGIAGIMESFCMVFICCSCTMLTAISMSAIATNG
VVPAGGSYYMISRSLGPEFGGAVGLCFYLGTTFAGAMYILGTIEILLAYLFPAMAIFKAE
DASGEAAAMLNNMRVYGTCVLTCMATVVFVGVKYVNKFALVFLGCVILSILAIYAGVIKS
AFDPPNFPICLLGNRTLSRHGFDVCAKLAWEGNETVTTRLWGLFCSSRFLNATCDEYFTR
NNVTEIQGIPGAASGLIKENLWSSYLTKGVIVERSGMTSVGLADGTPIDMDHPYVFSDMT
SYFTLLVGIYFPSVTGIMAGSNRSGDLRDAQKSIPTGTILAIATTSAVYISSVVLFGACI
EGVVLRDKFGEAVNGNLVVGTLAWPSPWVIVIGSFFSTCGAGLQSLTGAPRLLQAISRDG
IVPFLQVFGHGKANGEPTWALLLTACICEIGILIASLDEVAPILSMFFLMCYMFVNLACA
VQTLLRTPNWRPRFRYYHWTLSFLGMSLCLALMFICSWYYALVAMLIAGLIYKYIEYRGA
EKEWGDGIRGLSLSAARYALLRLEEGPPHTKNWRPQLLVLVRVDQDQNVVHPQLLSLTSQ
LKAGKGLTIVGSVLEGTFLENHPQAQRAEESIRRLMEAEKVKGFCQVVISSNLRDGVSHL
IQSGGLGGLQHNTVLVGWPRNWRQKEDHQTWRNFIELVRETTAGHLALLVTKNVSMFPGN
PERFSEGSIDVWWIVHDGGMLMLLPFLLRHHKVWRKCKMRIFTVAQMDDNSIQMKKDLTT
FLYHLRITAEVEVVEMHESDISAYTYEKTLVMEQRSQILKQMHLTKNEREREIQSITDES
RGSIRRKNPANTRLRLNVPEETAGDSEEKPEEEVQLIHDQSAPSCPSSSPSPGEEPEGEG
ETDPEKVHLTWTKDKSVAEKNKGPSPVSSEGIKDFFSMKPEWENLNQSNVRRMHTAVRLN
EVIVKKSRDAKLVLLNMPGPPRNRNGDENYMEFLEVLTEHLDRVMLVRGGGREVITIYS
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| BDBM43871 |
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| n/a |
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| Name | BDBM43871 |
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| Synonyms: | (2S)-2-[[(2S,3S)-4-keto-7-methoxy-2-[3-(trifluoromethyl)phenyl]chroman-3-yl]oxycarbonylamino]-3-methyl-butyric acid methyl ester | (2S)-2-[[[(2S,3S)-7-methoxy-4-oxo-2-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-1-benzopyran-3-yl]oxy-oxomethyl]amino]-3-methylbutanoic acid methyl ester | MLS000438786 | SMR000113146 | cid_9548071 | methyl (2S)-2-[[(2S,3S)-7-methoxy-4-oxidanylidene-2-[3-(trifluoromethyl)phenyl]-2,3-dihydrochromen-3-yl]oxycarbonylamino]-3-methyl-butanoate | methyl (2S)-2-[[(2S,3S)-7-methoxy-4-oxo-2-[3-(trifluoromethyl)phenyl]-2,3-dihydrochromen-3-yl]oxycarbonylamino]-3-methylbutanoate |
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| Type | Small organic molecule |
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| Emp. Form. | C24H24F3NO7 |
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| Mol. Mass. | 495.4451 |
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| SMILES | COC(=O)[C@@H](NC(=O)O[C@H]1[C@@H](Oc2cc(OC)ccc2C1=O)c1cccc(c1)C(F)(F)F)C(C)C |
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| Structure | 
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