Reaction Details Report a problem with these data
Target
Sodium/hydrogen exchanger 3
Ligand
BDBM381758
Substrate
n/a
Meas. Tech.
Cell-based activity under Prompt Conditions
IC50
2.82±n/a nM
Citation
 Carreras, C; Charmot, D; Jacobs, JW; Labonte, E; Lewis, JG NHE3-binding compounds and methods for inhibiting phosphate transport US Patent  US10272079 Publication Date 4/30/2019 
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:
BDBM381758
Synonyms:
US10272079, Compound 115
Type:
Small organic molecule
Emp. Form.:
C52H74N8O12S2
Mol. Mass.:
1067.32
SMILES:
CN(C)[C@H]1Cc2ccccc2[C@@H]1Oc1ccc(cc1)S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(O[C@@H]2[C@H](Cc3ccccc23)N(C)C)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: