Ki Summary new BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetSolute carrier family 22 member 3
LigandBDBM50170723
Substrate/Competitorn/a
Meas. Tech.ChEMBL_934315
IC50 410±n/a nM
Citation Wittwer MBZur AAKhuri NKido YKosaka AZhang XMorrissey KMSali AHuang YGiacomini KM Discovery of potent, selective multidrug and toxin extrusion transporter 1 (MATE1, SLC47A1) inhibitors through prescription drug profiling and computational modeling. J Med Chem 56:781-95 (2013) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Solute carrier family 22 member 3
Name:Solute carrier family 22 member 3
Synonyms:EMT | EMTH | Extraneuronal monoamine transporter | OCT3 | Organic cation transporter 3 | SLC22A3
Type:PROTEIN
Mol. Mass.:61292.57
Organism:Homo sapiens (Human)
Description:ChEMBL_934315
Residue:556
Sequence:
MPSFDEALQRVGEFGRFQRRVFLLLCLTGVTFAFLFVGVVFLGTQPDHYWCRGPSAAALA
ERCGWSPEEEWNRTAPASRGPEPPERRGRCQRYLLEAANDSASATSALSCADPLAAFPNR
SAPLVPCRGGWRYAQAHSTIVSEFDLVCVNAWMLDLTQAILNLGFLTGAFTLGYAADRYG
RIVIYLLSCLGVGVTGVVVAFAPNFPVFVIFRFLQGVFGKGTWMTCYVIVTEIVGSKQRR
IVGIVIQMFFTLGIIILPGIAYFIPNWQGIQLAITLPSFLFLLYYWVVPESPRWLITRKK
GDKALQILRRIAKCNGKYLSSNYSEITVTDEEVSNPSFLDLVRTPQMRKCTLILMFAWFT
SAVVYQGLVMRLGIIGGNLYIDFFISGVVELPGALLILLTIERLGRRLPFAASNIVAGVA
CLVTAFLPEGIAWLRTTVATLGRLGITMAFEIVYLVNSELYPTTLRNFGVSLCSGLCDFG
GIIAPFLLFRLAAVWLELPLIIFGILASICGGLVMLLPETKGIALPETVDDVEKLGSPHS
CKCGRNKKTPVSRSHL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50170723
n/a
NameBDBM50170723
Synonyms:1,1'-Hexamethylene bis(5-(p-chlorophenyl)biguanide) | CHEMBL790 | CHLORHEXIDINE | N',N'''''-hexane-1,6-diylbis[N-(4-chlorophenyl)(imidodicarbonimidic diamide)] | N,N'-Bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide
TypeSmall organic molecule
Emp. Form.C22H30Cl2N10
Mol. Mass.505.447
SMILESNC(NC(N)=Nc1ccc(Cl)cc1)=NCCCCCCN=C(N)N=C(N)Nc1ccc(Cl)cc1 |w:13.14,20.20,23.23,5.5|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: