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Target
Sodium/hydrogen exchanger 3
Ligand
BDBM50601173
Substrate
n/a
Meas. Tech.
ChEMBL_2235954 (CHEMBL5149726)
IC50
1.3±n/a nM
Citation
 Jacobs, JW; Leadbetter, MR; Bell, N; Koo-McCoy, S; Carreras, CW; He, L; Kohler, J; Kozuka, K; Labonté, ED; Navre, M; Spencer, AG; Charmot, D Discovery of Tenapanor: A First-in-Class Minimally Systemic Inhibitor of Intestinal Na ACS Med Chem Lett 13:1043-1051 (2022) [PubMed] 
Target
Name:
Sodium/hydrogen exchanger 3
Synonyms:
NHE3 | SL9A3_HUMAN | SLC9A3
Type:
PROTEIN
Mol. Mass.:
92861.96
Organism:
Homo sapiens (Human)
Description:
ChEMBL_141050
Residue:
834
Sequence:
MWGLGARGPDRGLLLALALGGLARAGGVEVEPGGAHGESGGFQVVTFEWAHVQDPYVIALWILVASLAKIGFHLSHKVTSVVPESALLIVLGLVLGGIVWAADHIASFTLTPTVFFFYLLPPIVLDAGYFMPNRLFFGNLGTILLYAVVGTVWNAATTGLSLYGVFLSGLMGDLQIGLLDFLLFGSLMAAVDPVAVLAVFEEVHVNEVLFIIVFGESLLNDAVTVVLYNVFESFVALGGDNVTGVDCVKGIVSFFVVSLGGTLVGVVFAFLLSLVTRFTKHVRIIEPGFVFIISYLSYLTSEMLSLSAILAITFCGICCQKYVKANISEQSATTVRYTMKMLASSAETIIFMFLGISAVNPFIWTWNTAFVLLTLVFISVYRAIGVVLQTWLLNRYRMVQLEPIDQVVLSYGGLRGAVAFALVVLLDGDKVKEKNLFVSTTIIVVFFTVIFQGLTIKPLVQWLKVKRSEHREPRLNEKLHGRAFDHILSAIEDISGQIGHNYLRDKWSHFDRKFLSRVLMRRSAQKSRDRILNVFHELNLKDAISYVAEGERRGSLAFIRSPSTDNVVNVDFTPRSSTVEASVSYLLRENVSAVCLDMQSLEQRRRSIRDAEDMVTHHTLQQYLYKPRQEYKHLYSRHELTPTEDEKQDREIFHRTMRKRLESFKSTKLGLNQNKKAAKLYKRERAQKRRNSSIPNGKLPMESPAQNFTIKEKDLELSDTEEPPNYDEEMSGGIEFLASVTKDTASDSPAGIDNPVFSPDEALDRSLLARLPPWLSPGETVVPSQRARTQIPYSPGTFCRLMPFRLSSKSVDSFLQADGPEERPPAALPESTHM
  
Inhibitor
Name:
BDBM50601173
Synonyms:
CHEMBL5176968
Type:
Small organic molecule
Emp. Form.:
C51H68Cl4N6O13S2
Mol. Mass.:
1179.06
SMILES:
CN1C[C@@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCOCCNC(O)C(O)C(=O)NCCOCCOCCOCCNS(=O)(=O)c2cccc(c2)[C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc23)c2cc(Cl)cc(Cl)c2C1 |r|
Structure:
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