BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetSolute carrier family 12 member 5
LigandBDBM43928
Substrate/Competitorn/a
Meas. Tech.Identification of Novel Modulators of Cl- dependent Transport Process via HTS; Dose-dependent Assay with KCC2
EC50 5590±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]
More Info.:Get all data from this article,   Solution Info,  Assay Method
 
Solute carrier family 12 member 5
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:
MSRRFTVTSLPPAGPARSPDPESRRHSVADPRHLPGEDVKGDGNPKESSPFINSTDTEKG
KEYDGKNMALFEEEMDTSPMVSSLLSGLANYTNLPQGSREHEEAENNEGGKKKPVQAPRM
GTFMGVYLPCLQNIFGVILFLRLTWVVGIAGIMESFCMVFICCSCTMLTAISMSAIATNG
VVPAGGSYYMISRSLGPEFGGAVGLCFYLGTTFAGAMYILGTIEILLAYLFPAMAIFKAE
DASGEAAAMLNNMRVYGTCVLTCMATVVFVGVKYVNKFALVFLGCVILSILAIYAGVIKS
AFDPPNFPICLLGNRTLSRHGFDVCAKLAWEGNETVTTRLWGLFCSSRFLNATCDEYFTR
NNVTEIQGIPGAASGLIKENLWSSYLTKGVIVERSGMTSVGLADGTPIDMDHPYVFSDMT
SYFTLLVGIYFPSVTGIMAGSNRSGDLRDAQKSIPTGTILAIATTSAVYISSVVLFGACI
EGVVLRDKFGEAVNGNLVVGTLAWPSPWVIVIGSFFSTCGAGLQSLTGAPRLLQAISRDG
IVPFLQVFGHGKANGEPTWALLLTACICEIGILIASLDEVAPILSMFFLMCYMFVNLACA
VQTLLRTPNWRPRFRYYHWTLSFLGMSLCLALMFICSWYYALVAMLIAGLIYKYIEYRGA
EKEWGDGIRGLSLSAARYALLRLEEGPPHTKNWRPQLLVLVRVDQDQNVVHPQLLSLTSQ
LKAGKGLTIVGSVLEGTFLENHPQAQRAEESIRRLMEAEKVKGFCQVVISSNLRDGVSHL
IQSGGLGGLQHNTVLVGWPRNWRQKEDHQTWRNFIELVRETTAGHLALLVTKNVSMFPGN
PERFSEGSIDVWWIVHDGGMLMLLPFLLRHHKVWRKCKMRIFTVAQMDDNSIQMKKDLTT
FLYHLRITAEVEVVEMHESDISAYTYEKTLVMEQRSQILKQMHLTKNEREREIQSITDES
RGSIRRKNPANTRLRLNVPEETAGDSEEKPEEEVQLIHDQSAPSCPSSSPSPGEEPEGEG
ETDPEKVHLTWTKDKSVAEKNKGPSPVSSEGIKDFFSMKPEWENLNQSNVRRMHTAVRLN
EVIVKKSRDAKLVLLNMPGPPRNRNGDENYMEFLEVLTEHLDRVMLVRGGGREVITIYS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM43928
n/a
NameBDBM43928
Synonyms:1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-[4-furan-2-ylmethyl-5-(4-hydroxy-phenyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-ethanone | 4-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-(furan-2-ylmethyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one | 4-[3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-4-(furan-2-ylmethyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one | 4-[3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-4-(2-furfuryl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one | 4-[3-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-4-(2-furanylmethyl)-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone | MLS000027919 | SMR000002551 | cid_5770693
TypeSmall organic molecule
Emp. Form.C24H22N4O3S
Mol. Mass.446.521
SMILESOc1ccc(cc1)-c1nnc(SCC(=O)N2CCc3ccccc3C2)n1Cc1ccco1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: