Reaction Details Report a problem with these data
Target
Solute carrier family 12 member 5
Ligand
BDBM44044
Substrate
n/a
Meas. Tech.
Identification of Novel Modulators of Cl- dependent Transport Process via HTS; Dose-dependent Assay with KCC2
EC50
200±n/a nM
Citation
 PubChem, PC Identification of Novel Modulators of Cl- dependent Transport Process via HTS; Dose-dependent Assay 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:
BDBM44044
Synonyms:
1-[2-Methyl-5-(5-methyl-benzooxazol-2-yl)-phenyl]-3-(thiophene-2-carbonyl)-thiourea | MLS000591768 | N-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide | N-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]thiophene-2-carboxamide | N-[[2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]thiophene-2-carboxamide | SMR000218803 | cid_1846698
Type:
Small organic molecule
Emp. Form.:
C21H17N3O2S2
Mol. Mass.:
407.509
SMILES:
Cc1ccc2oc(nc2c1)-c1ccc(C)c(NC(=S)NC(=O)c2cccs2)c1
Structure:
Search PDB for entries with ligand similarity: