Reaction Details Report a problem with these data
Target
Sodium/hydrogen exchanger 1
Ligand
BDBM50104844
Substrate
n/a
Meas. Tech.
ChEBML_1686617
IC50
10.0±n/a nM
Citation
 Talele, TT Natural-Products-Inspired Use of the gem-Dimethyl Group in Medicinal Chemistry. J Med Chem 61:2166-2210 (2018) [PubMed]  Article 
Target
Name:
Sodium/hydrogen exchanger 1
Synonyms:
APNH | APNH1 | NHE-1 | NHE1 | Na(+)/H(+) antiporter, amiloride-sensitive | Na(+)/H(+) exchanger 1 | SL9A1_HUMAN | SLC9A1 | Solute carrier family 9 member 1
Type:
PROTEIN
Mol. Mass.:
90771.96
Organism:
Homo sapiens (Human)
Description:
ChEMBL_862405
Residue:
815
Sequence:
MVLRSGICGLSPHRIFPSLLVVVALVGLLPVLRSHGLQLSPTASTIRSSEPPRERSIGDVTTAPPEVTPESRPVNHSVTDHGMKPRKAFPVLGIDYTHVRTPFEISLWILLACLMKIGFHVIPTISSIVPESCLLIVVGLLVGGLIKGVGETPPFLQSDVFFLFLLPPIILDAGYFLPLRQFTENLGTILIFAVVGTLWNAFFLGGLMYAVCLVGGEQINNIGLLDNLLFGSIISAVDPVAVLAVFEEIHINELLHILVFGESLLNDAVTVVLYHLFEEFANYEHVGIVDIFLGFLSFFVVALGGVLVGVVYGVIAAFTSRFTSHIRVIEPLFVFLYSYMAYLSAELFHLSGIMALIASGVVMRPYVEANISHKSHTTIKYFLKMWSSVSETLIFIFLGVSTVAGSHHWNWTFVISTLLFCLIARVLGVLGLTWFINKFRIVKLTPKDQFIIAYGGLRGAIAFSLGYLLDKKHFPMCDLFLTAIITVIFFTVFVQGMTIRPLVDLLAVKKKQETKRSINEEIHTQFLDHLLTGIEDICGHYGHHHWKDKLNRFNKKYVKKCLIAGERSKEPQLIAFYHKMEMKQAIELVESGGMGKIPSAVSTVSMQNIHPKSLPSERILPALSKDKEEEIRKILRNNLQKTRQRLRSYNRHTLVADPYEEAWNQMLLRRQKARQLEQKINNYLTVPAHKLDSPTMSRARIGSDPLAYEPKEDLPVITIDPASPQSPESVDLVNEELKGKVLGLSRDPAKVAEEDEDDDGGIMMRSKETSSPGTDDVFTPAPSDSPSSQRIQRCLSDPGPHPEPGEGEPFFPKGQ
  
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: