Reaction Details Report a problem with these data
Target
Solute carrier family 12 member 5
Ligand
BDBM50315367
Substrate
n/a
Meas. Tech.
ChEMBL_625987 (CHEMBL1103506)
IC50
60±n/a nM
Citation
 Pégurier, C; Bosman, N; Collart, P; Delporte, ML; Leclercq, K; Lengelé, S; Kanduluru, AK; Meunier, S; Pacico, N; Vadali, LR; Wagner, A; Wolff, C; Provins, L Benzyl prolinate derivatives as novel selective KCC2 blockers. Bioorg Med Chem Lett 20:2542-5 (2010) [PubMed]  Article 
Target
Name:
Solute carrier family 12 member 5
Synonyms:
Kcc2 | S12A5_RAT | Slc12a5
Type:
PROTEIN
Mol. Mass.:
126249.28
Organism:
Rattus norvegicus
Description:
ChEMBL_818163
Residue:
1139
Sequence:
MSRRFTVTSLPPAASAASADPESRRHSVADPRRLPREDVKGDGNPKESSPFINSTDTEKGREYDGRNMALFEEEMDTSPMVSSLLSGLANYTNLPQGSKEHEEAENNEGGKKKPVQAPRMGTFMGVYLPCLQNIFGVILFLRLTWVVGIAGIMESFCMVFICCSCTMLTAISMSAIATNGVVPAGGSYYMISRSLGPEFGGAVGLCFYLGTTFAGAMYILGTIEILLAYLFPAMAIFKAEDASGEAAAMLNNMRVYGTCVLTCMATVVFVGVKYVNKFALVFLGCVILSILAIYAGVIKSAFDPPNFPICLLGNRTLSRHGFDVCAKLAWEGNETVTTRLWGLFCSSRLLNATCDEYFTRNNVTEIQGIPGAASGLIKENLWSSYLTKGVIVERRGMPSVGLADGTPVDMDHPYVFSDMTSYFTLLVGIYFPSVTGIMAGSNRSGDLRDAQKSIPTGTILAIATTSAVYISSVVLFGACIEGVVLRDKFGEAVNGNLVVGTLAWPSPWVIVIGSFFSTCGAGLQSLTGAPRLLQAISRDGIVPFLQVFGHGKANGEPTWALLLTACICEIGILIASLDEVAPILSMFFLMCYMFVNLACAVQTLLRTPNWRPRFRYYHWTLSFLGMSLCLALMFICSWYYALVAMLIAGLIYKYIEYRGAEKEWGDGIRGLSLSAARYALLRLEEGPPHTKNWRPQLLVLVRVDQDQNVVHPQLLSLTSQLKAGKGLTIVGSVLEGTFLDNHPQAQRAEESIRRLMEAEKVKGFCQVVISSNLRDGVSHLIQSGGLGGLQHNTVLVGWPRNWRQKEDHQTWRNFIELVRETTAGHLALLVTKNVSMFPGNPERFSEGSIDVWWIVHDGGMLMLLPFLLRHHKVWRKCKMRIFTVAQMDDNSIQMKKDLTTFLYHLRITAEVEVVEMHESDISAYTYEKTLVMEQRSQILKQMHLTKNEREREIQSITDESRGSIRRKNPANTRLRLNVPEETACDNEEKPEEEVQLIHDQSAPSCPSSSPSPGEEPEGEGETDPEKVHLTWTKDKSAAQKNKGPSPVSSEGIKDFFSMKPEWENLNQSNVRRMHTAVRLNEVIVNKSRDAKLVLLNMPGPPRNRNGDENYMEFLEVLTEQLDRVMLVRGGGREVITIYS
  
Inhibitor
Name:
BDBM50315367
Synonyms:
CHEMBL1089847 | benzyl 1-acetyl-2-(4-fluoro-3-(trifluoromethyl)benzyl)pyrrolidine-2-carboxylate
Type:
Small organic molecule
Emp. Form.:
C22H21F4NO3
Mol. Mass.:
423.4007
SMILES:
CC(=O)N1CCCC1(Cc1ccc(F)c(c1)C(F)(F)F)C(=O)OCc1ccccc1
Structure:
Search PDB for entries with ligand similarity: