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TargetSolute carrier family 22 member 8
LigandBDBM50305842
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1552528
IC50 6000±n/a nM
Citation Ruminski PGMassa MStrohbach JHanau CESchmidt MScholten JAFletcher TRHamper BCCarroll JNShieh HSCaspers NCollins BGrapperhaus MPalmquist KECollins JBaldus JEHitchcock JKleine HPRogers MDMcDonald JMunie GEMessing DMPortolan SWhiteley LOSunyer TSchnute ME Discovery of N-(4-Fluoro-3-methoxybenzyl)-6-(2-(((2S,5R)-5-(hydroxymethyl)-1,4-dioxan-2-yl)methyl)-2H-tetrazol-5-yl)-2-methylpyrimidine-4-carboxamide. A Highly Selective and Orally Bioavailable Matrix Metalloproteinase-13 Inhibitor for the Potential Treatment of Osteoarthritis. J Med Chem 59:313-27 (2016) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Solute carrier family 22 member 8
Name:Solute carrier family 22 member 8
Synonyms:OAT3 | Organic anion transporter 3 | SLC22A8 | hOAT3
Type:PROTEIN
Mol. Mass.:59870.13
Organism:Homo sapiens (Human)
Description:ChEMBL_1486920
Residue:542
Sequence:
MTFSEILDRVGSMGHFQFLHVAILGLPILNMANHNLLQIFTAATPVHHCRPPHNASTGPW
VLPMGPNGKPERCLRFVHPPNASLPNDTQRAMEPCLDGWVYNSTKDSIVTEWDLVCNSNK
LKEMAQSIFMAGILIGGLVLGDLSDRFGRRPILTCSYLLLAASGSGAAFSPTFPIYMVFR
FLCGFGISGITLSTVILNVEWVPTRMRAIMSTALGYCYTFGQFILPGLAYAIPQWRWLQL
TVSIPFFVFFLSSWWTPESIRWLVLSGKSSKALKILRRVAVFNGKKEEGERLSLEELKLN
LQKEISLAKAKYTASDLFRIPMLRRMTFCLSLAWFATGFAYYSLAMGVEEFGVNLYILQI
IFGGVDVPAKFITILSLSYLGRHTTQAAALLLAGGAILALTFVPLDLQTVRTVLAVFGKG
CLSSSFSCLFLYTSELYPTVIRQTGMGVSNLWTRVGSMVSPLVKITGEVQPFIPNIIYGI
TALLGGSAALFLPETLNQPLPETIEDLENWSLRAKKPKQEPEVEKASQRIPLQPHGPGLG
SS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50305842
n/a
NameBDBM50305842
Synonyms:CHEMBL603656 | trans-4-((5-(2-(4-fluorobenzylcarbamoyl)-6-methylpyridin-4-yl)-2H-tetrazol-2-yl)methyl)cyclohexanecarboxylic acid
TypeSmall organic molecule
Emp. Form.C23H25FN6O3
Mol. Mass.452.4814
SMILESCc1cc(cc(n1)C(=O)NCc1ccc(F)cc1)-c1nnn(C[C@H]2CC[C@@H](CC2)C(O)=O)n1 |r,wU:26.31,wD:23.24,(30.11,-12.24,;29.32,-10.92,;30.07,-9.57,;29.28,-8.26,;27.74,-8.27,;26.98,-9.62,;27.77,-10.94,;25.44,-9.64,;24.69,-10.98,;24.66,-8.31,;23.12,-8.33,;22.33,-7.01,;23.08,-5.67,;22.3,-4.34,;20.75,-4.36,;19.97,-3.04,;20,-5.72,;20.79,-7.03,;30.03,-6.91,;29.39,-5.51,;30.52,-4.46,;31.87,-5.21,;33.27,-4.57,;34.61,-5.32,;34.63,-6.85,;35.98,-7.6,;37.3,-6.81,;37.27,-5.26,;35.93,-4.52,;38.65,-7.56,;38.68,-9.1,;39.97,-6.77,;31.57,-6.73,)|
Structure
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