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Target
Sodium/hydrogen exchanger 5
Ligand
BDBM50104844
Substrate
n/a
Meas. Tech.
ChEMBL_141051 (CHEMBL748619)
IC50
3360±n/a nM
Citation
 Ahmad, S; Doweyko, LM; Dugar, S; Grazier, N; Ngu, K; Wu, SC; Yost, KJ; Chen, BC; Gougoutas, JZ; DiMarco, JD; Lan, SJ; Gavin, BJ; Chen, AY; Dorso, CR; Serafino, R; Kirby, M; Atwal, KS Arylcyclopropanecarboxyl guanidines as novel, potent, and selective inhibitors of the sodium hydrogen exchanger isoform-1. J Med Chem 44:3302-10 (2001) [PubMed]
Target
Name:
Sodium/hydrogen exchanger 5
Synonyms:
NHE5 | SL9A5_HUMAN | SLC9A5
Type:
PROTEIN
Mol. Mass.:
99022.39
Organism:
Homo sapiens (Human)
Description:
ChEMBL_141051
Residue:
896
Sequence:
MLRAALSLLALPLAGAAEEPTQKPESPGEPPPGLELFRWQWHEVEAPYLVALWILVASLAKIVFHLSRKVTSLVPESCLLILLGLVLGGIVLAVAKKAEYQLEPGTFFLFLLPPIVLDSGYFMPSRLFFDNLGAILTYAVVGTLWNAFTTGAALWGLQQAGLVAPRVQAGLLDFLLFGSLISAVDPVAVLAVFEEVHVNETLFIIVFGESLLNDAVTVVLYKVCNSFVEMGSANVQATDYLKGVASLFVVSLGGAAVGLVFAFLLALTTRFTKRVRIIEPLLVFLLAYAAYLTAEMASLSAILAVTMCGLGCKKYVEANISHKSRTTVKYTMKTLASCAETVIFMLLGISAVDSSKWAWDSGLVLGTLIFILFFRALGVVLQTWVLNQFRLVPLDKIDQVVMSYGGLRGAVAFALVILLDRTKVPAKDYFVATTIVVVFFTVIVQGLTIKPLVKWLKVKRSEHHKPTLNQELHEHTFDHILAAVEDVVGHHGYHYWRDRWEQFDKKYLSQLLMRRSAYRIRDQIWDVYYRLNIRDAISFVDQGGHVLSSTGLTLPSMPSRNSVAETSVTNLLRESGSGACLDLQVIDTVRSGRDREDAVMHHLLCGGLYKPRRRYKASCSRHFISEDAQERQDKEVFQQNMKRRLESFKSTKHNICFTKSKPRPRKTGRRKKDGVANAEATNGKHRGLGFQDTAAVILTVESEEEEEESDSSETEKEDDEGIIFVARATSEVLQEGKVSGSLEVCPSPRIIPPSPTCAEKELPWKSGQGDLAVYVSSETTKIVPVDMQTGWNQSISSLESLASPPCNQAPILTCLPPHPRGTEEPQVPLHLPSDPRSSFAFPPSLAKAGRSRSESSADLPQQQELQPLMGHKDHTHLSPGTATSHWCIQFNRGSRL
  
Inhibitor
Name:
BDBM50104844
Synonyms:
BMS-284640 | CHEMBL51879 | N-[(1R,3R)-3-(2,3-Dihydro-benzofuran-4-yl)-2,2-dimethyl-cyclopropanecarbonyl]-guanidine | N-[3-(2,3-Dihydro-benzofuran-4-yl)-2,2-dimethyl-cyclopropanecarbonyl]-guanidine (BMS-284640)
Type:
Small organic molecule
Emp. Form.:
C15H19N3O2
Mol. Mass.:
273.3303
SMILES:
CC1(C)[C@@H]([C@H]1c1cccc2OCCc12)C(=O)NC(N)=N
Structure:
Search PDB for entries with ligand similarity: