Reaction Details Report a problem with these data
Target
Solute carrier family 12 member 5
Ligand
BDBM44152
Substrate
n/a
Meas. Tech.
Identification of Novel Modulators of Cl- dependent Transport Process via HTS; Dose-dependent Assay with KCC2
EC50
290000±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:
BDBM44152
Synonyms:
(E)-4-(1,3-benzothiazol-2-yl)-5-(3-nitro-4-pyrrolidin-1-yl-phenyl)pent-4-enoic acid | (E)-4-(1,3-benzothiazol-2-yl)-5-(3-nitro-4-pyrrolidin-1-ylphenyl)pent-4-enoic acid | (E)-4-(1,3-benzothiazol-2-yl)-5-(3-nitro-4-pyrrolidino-phenyl)pent-4-enoic acid | (E)-4-(1,3-benzothiazol-2-yl)-5-[3-nitro-4-(1-pyrrolidinyl)phenyl]-4-pentenoic acid | MLS001002376 | SMR000368894 | cid_6536725
Type:
Small organic molecule
Emp. Form.:
C22H21N3O4S
Mol. Mass.:
423.485
SMILES:
OC(=O)CC\C(=C/c1ccc(N2CCCC2)c(c1)[N+]([O-])=O)c1nc2ccccc2s1
Structure:
Search PDB for entries with ligand similarity: