Reaction Details Report a problem with these data
Target
Solute carrier family 12 member 5
Ligand
BDBM43871
Substrate
n/a
Meas. Tech.
Identification of Novel Modulators of Cl- dependent Transport Process via HTS: Dose-Dependent Assay 2 with KCC2
EC50
515±n/a nM
Citation
 PubChem, PC Identification of Novel Modulators of Cl- dependent Transport Process via HTS: Dose-Dependent Assay 2 with KCC2 PubChem Bioassay (2009)[AID] 
Target
Name:
Solute carrier family 12 member 5
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
Type:
PROTEIN
Mol. Mass.:
126185.18
Organism:
Homo sapiens (Human)
Description:
ChEMBL_828024
Residue:
1139
Sequence:
MSRRFTVTSLPPAGPARSPDPESRRHSVADPRHLPGEDVKGDGNPKESSPFINSTDTEKGKEYDGKNMALFEEEMDTSPMVSSLLSGLANYTNLPQGSREHEEAENNEGGKKKPVQAPRMGTFMGVYLPCLQNIFGVILFLRLTWVVGIAGIMESFCMVFICCSCTMLTAISMSAIATNGVVPAGGSYYMISRSLGPEFGGAVGLCFYLGTTFAGAMYILGTIEILLAYLFPAMAIFKAEDASGEAAAMLNNMRVYGTCVLTCMATVVFVGVKYVNKFALVFLGCVILSILAIYAGVIKSAFDPPNFPICLLGNRTLSRHGFDVCAKLAWEGNETVTTRLWGLFCSSRFLNATCDEYFTRNNVTEIQGIPGAASGLIKENLWSSYLTKGVIVERSGMTSVGLADGTPIDMDHPYVFSDMTSYFTLLVGIYFPSVTGIMAGSNRSGDLRDAQKSIPTGTILAIATTSAVYISSVVLFGACIEGVVLRDKFGEAVNGNLVVGTLAWPSPWVIVIGSFFSTCGAGLQSLTGAPRLLQAISRDGIVPFLQVFGHGKANGEPTWALLLTACICEIGILIASLDEVAPILSMFFLMCYMFVNLACAVQTLLRTPNWRPRFRYYHWTLSFLGMSLCLALMFICSWYYALVAMLIAGLIYKYIEYRGAEKEWGDGIRGLSLSAARYALLRLEEGPPHTKNWRPQLLVLVRVDQDQNVVHPQLLSLTSQLKAGKGLTIVGSVLEGTFLENHPQAQRAEESIRRLMEAEKVKGFCQVVISSNLRDGVSHLIQSGGLGGLQHNTVLVGWPRNWRQKEDHQTWRNFIELVRETTAGHLALLVTKNVSMFPGNPERFSEGSIDVWWIVHDGGMLMLLPFLLRHHKVWRKCKMRIFTVAQMDDNSIQMKKDLTTFLYHLRITAEVEVVEMHESDISAYTYEKTLVMEQRSQILKQMHLTKNEREREIQSITDESRGSIRRKNPANTRLRLNVPEETAGDSEEKPEEEVQLIHDQSAPSCPSSSPSPGEEPEGEGETDPEKVHLTWTKDKSVAEKNKGPSPVSSEGIKDFFSMKPEWENLNQSNVRRMHTAVRLNEVIVKKSRDAKLVLLNMPGPPRNRNGDENYMEFLEVLTEHLDRVMLVRGGGREVITIYS
  
Inhibitor
Name:
BDBM43871
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
Type:
Small organic molecule
Emp. Form.:
C24H24F3NO7
Mol. Mass.:
495.4451
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
Structure:
Search PDB for entries with ligand similarity: