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Target
Sodium/hydrogen exchanger 3
Ligand
BDBM381826
Substrate
n/a
Meas. Tech.
ChEMBL_2235955 (CHEMBL5149727)
IC50
2.5±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:
NHE-3 | Na(+)/H(+) exchanger 3 | Nhe3 | SL9A3_RAT | Slc9a3 | Sodium/hydrogen exchanger 3 | Solute carrier family 9 member 3
Type:
PROTEIN
Mol. Mass.:
93115.43
Organism:
Rattus norvegicus
Description:
ChEMBL_116967
Residue:
831
Sequence:
MWHPALGPGWKPLLALAVAVTSLRGVRGIEEEPNSGGSFQIVTFKWHHVQDPYIIALWILVASLAKIVFHLSHKVTSVVPESALLIVLGLVLGGIVWAADHIASFTLTPTLFFFYLLPPIVLDAGYFMPNRLFFGNLGTILLYAVIGTIWNAATTGLSLYGVFLSGLMGELKIGLLDFLLFGSLIAAVDPVAVLAVFEEVHVNEVLFIIVFGESLLNDAVTVVLYNVFESFVTLGGDAVTGVDCVKGIVSFFVVSLGGTLVGVIFAFLLSLVTRFTKHVRIIEPGFVFVISYLSYLTSEMLSLSAILAITFCGICCQKYVKANISEQSATTVRYTMKMLASGAETIIFMFLGISAVDPVIWTWNTAFVLLTLVFISVYRAIGVVLQTWILNRYRMVQLETIDQVVMSYGGLRGAVAYALVVLLDEKKVKEKNLFVSTTLIVVFFTVIFQGLTIKPLVQWLKVKRSEQREPKLNEKLHGRAFDHILSAIEDISGQIGHNYLRDKWSNFDRKFLSKVLMRRSAQKSRDRILNVFHELNLKDAISYVAEGERRGSLAFIRSPSTDNMVNVDFSTPRPSTVEASVSYFLRENVSAVCLDMQSLEQRRRSIRDTEDMVTHHTLQQYLYKPRQEYKHLYSRHELTPNEDEKQDKEIFHRTMRKRLESFKSAKLGINQNKKAAKLYKRERAQKRRNSSIPNGKLPMENLAHNFTIKEKDLELSEPEEATNYEEISGGIEFLASVTKDVASDSGAGIDNPVFSPDEDLDPSILSRVPPWLSPGETVVPSQRARVQIPNSPSNFRRLTPFRLSNKSVDSFLQADGPEEQLQPASPESTHM
  
Inhibitor
Name:
BDBM381826
Synonyms:
US10272079, Compound 003
Type:
Small organic molecule
Emp. Form.:
C52H62Cl4N8O10S2
Mol. Mass.:
1165.038
SMILES:
CN1C[C@@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCNC(=O)Nc2ccc(NC(=O)NCCOCCOCCNS(=O)(=O)c3cccc(c3)[C@@H]3CN(C)Cc4c(Cl)cc(Cl)cc34)cc2)c2cc(Cl)cc(Cl)c2C1 |r|
Structure:
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