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Target
Sodium/hydrogen exchanger 3
Ligand
BDBM426607
Substrate
n/a
Meas. Tech.
ChEMBL_2235954 (CHEMBL5149726)
IC50
40±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:
BDBM426607
Synonyms:
N,N′-(13,20-dioxo-3,6,9,24,27,30-hexaoxa-12,14,19,21-tetraazadotriacontane-1,32-diyl)bis(3-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)benzenesulfonamide) | US10543207, Example 208
Type:
Small organic molecule
Emp. Form.:
C54H74Cl4N8O12S2
Mol. Mass.:
1233.154
SMILES:
CN1CC(c2cccc(c2)S(=O)(=O)NCCOCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCOCCNS(=O)(=O)c2cccc(c2)C2CN(C)Cc3c(Cl)cc(Cl)cc23)c2cc(Cl)cc(Cl)c2C1
Structure:
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