Reaction Details Report a problem with these data
Target
Solute carrier family 12 member 5
Ligand
BDBM44140
Substrate
n/a
Meas. Tech.
Identification of Novel Modulators of Cl- dependent Transport Process via HTS; Dose-dependent Assay with KCC2
EC50
221000±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:
BDBM44140
Synonyms:
2-[3-nitro-4-[[1-(phenylmethyl)-4-piperidinyl]amino]phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione | 2-[3-nitro-4-[[1-(phenylmethyl)piperidin-4-yl]amino]phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione | 2-[4-[(1-benzyl-4-piperidyl)amino]-3-nitro-phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-quinone | 2-[4-[(1-benzylpiperidin-4-yl)amino]-3-nitrophenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione | 2-{4-[(1-benzylpiperidin-4-yl)amino]-3-nitrophenyl}hexahydro-1H-isoindole-1,3(2H)-dione | MLS000682579 | SMR000311936 | cid_15993431
Type:
Small organic molecule
Emp. Form.:
C26H30N4O4
Mol. Mass.:
462.5408
SMILES:
Oc1c2CCCCc2c(O)n1-c1ccc(NC2CCN(Cc3ccccc3)CC2)c(c1)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: