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Target
Inositol 1,4,5-trisphosphate receptor type 3
Ligand
BDBM50132166
Substrate
n/a
Meas. Tech.
ChEBML_90104
Ki
26.4±n/a nM
Citation
 Mills, SJ; Safrany, ST; Wilcox, RA; Nahorski, SR; Potter, BV Synthesis of myo-inositol 1,2,4,5-tetrakisphosphate, a Ca2+-mobilising tetrakisphosphate with a potency similar to myo-inositol 1,4,5-trisphosphate Bioorg Med Chem Lett 3:1505-1510 (1993)    Article 
Target
Name:
Inositol 1,4,5-trisphosphate receptor type 3
Synonyms:
ITPR3 | ITPR3_BOVIN
Type:
PROTEIN
Mol. Mass.:
303035.22
Organism:
Bos taurus
Description:
ChEMBL_90104
Residue:
2664
Sequence:
MSEMSSFLHIGDIVSLYAEGSVNGFISTLGLVDDRCVVEPAAGDLDNPPKKFRDCLFKVCPMNRYSAQKQYWKAKQTKQDKEKIADVVLLQKLQHAAQMEQKQNDTENKKVHGDVVKYGSVIQLLHMKSNKYLTVNKRLPALLEKNAMRVTLDATGNEGSWLFIQPFWKLRSNGDNVVVGDKVILNPVNAGQPLHASNYELSDNAGCKEVNSVNCNTSWKINLFMQFRDHLEEVLKGGDVVRLFHAEQEKFLTCDEYRGKLQVFLRTTLRQSATSATSSNALWEVEVVHHDPCRGGAGHWNGLYRFKHLATGNYLAAEENPSYKGDASDPKAAGTGAQGRTGRRNAGEKIKYRLVAVPHGNDIASLFELDPTTLQKTDSFVPRNSYVRLRHLCTNTWIQSTNVPIDVEEERPIRLMLGTCPTKEDKEAFAIVSVPVSEIRDLDFANDASSMLASAVEKLHEGFISQNDRRFVIQLLEDLVFFVSDVPNNGQNVLDIMVTKPNRERQKLMREQNILKQIFGILKAPFRDKGGEGPLVRLEELSDQKNAPYQHMFRLCYRVLRHSQEDYRKNQEHIAKQFGMMQSQIGYDILAEDTITALLHNNRKLLEKHITKTEVETFVSLVRKNREPRFLDYLSDLCVSNHIAIPVTQELICKCVLDPKNSDILIQTELRPVKEMAQSHEYLSIEYSEEEVWLTWTDKNNEHHEKSVRQLAQEARAGNAHDENVLSYYRYQLKLFARMCLDRQYLAIDEISQQLGVDLIFLCMADEMLPFDLRASFCHLMLHVHVDRDPQELVTPVKFARLWTEIPTAITIKDYDSNLNASRDDKKNKFASTMEFVEDYLNNVVSEAVPFANEEKNKLTFEVVSLAHNLIYFGFYSFSELLRLTRTLLGIIDCVQAYEDPGGKNVRRSTQGVGHMMSTMVLNRKQSVFGGPSLPAGAGAPEPLDGSKFEENEDIVVMETKLKILEILQFILNVRLDYRISYLLSVFKKEFVEVFPMQDSGADGTAPAFDSTTANMNLDRIGEQAEAMFGVGKTSSMLEVDDEGGRMLLRVLIHLTMHDYAPLVSGALQLLFKHFSQRQEVMHTFKQVQLLISAQDVENYKVIKSELDRLRTMVEKSELWVDKKGASKGEEGEAGPAKDKKERPTDEEGFLHPPGEKSSENYQIVKGILERLNKMCGVGEQMRKKQQRLLKNMDAHKVMLDLLQIPYDKGDAKMMEILRYTHQFLQKFCAGNPGNQALLHKHLHLFLTPGLLEAETMQHIFLNNYQLCSEIGEPVLQHFVHLLATHGHHVQYLDFLHTVIKAEGKYVKKCQDMIMTEPANAGDDVVVFYNDKASLAHLLDMMKAARDGVEDHSPLMYHISLVDLLAACAEGKNVYTEIKCTSLLPLEDVVSVVTHEDCITEVKMAYVNFVNHCYVDTEVEMKEIYTSNHIWTLFENFTLDMARVCSKREKRLADPALEKYVLTVVLDTISAFFSSPFSENSTSLQTHQTIVVQLLQSTMRLLECPWLQQQHKGSVEACIRTLAMVAKGRAISLPMDLDAHISSLLSSGASCVAAAQRNASNYKTATRAFPRVMPTANQWDYKNIIEKLQDIITALEERLRPLVQAELSVLVDVLHWPELLFLEGSDAYQRCESGGFLSKLIQHTKDLMESEEKLCVKVLRTLQQMLLKKTKYGDRGNQLRKMLLQNYLQNRKSSSRGDLPDPMGTGLDQDWSAIAATQCRLDKEGATKLVCDLITSTKNEKIFQESIGLAIRLLDGGNTEIQKSFYNLMTSDKKSERFFKVLHDRMKRAQQETKSTVAVNMSDLGSQPREDREQADPTSKGRVASFSMPSSSSRYALGPSLRRGHEVGERVQSNEMGTSVLIMQPILRFLQLLCENHNRDLQNFLRCQNNKTNYNLVCETLQFLDIMCGSTTGGLGLLGLYINEDNVGLVIQTLETLTEYCQGPCHENQTCIVTHESNGIDIITALILNDISPLCKYRMDLVLQLKDNASKLLLALMESRHDSENAERILISLRPQELVDVIKKAYLQEEERENSDVSPREVGHNIYILALQLSRHNKQLQHLLKPVKRIQEEEAEGISSMLSLNNKQLTQMLKSSAPVQEQEEDPLAYYENHTSQIEIVRQDRSMEQIVFPVPGICQFLTEETKHRLFTTTEQDEQGSKVSDLFDQPSFLHNEMEWQRKLRSMPLIYWFSRRMTLWGSISFNLAVFINIIIAFFYPYVEGASTGVLGSPLISLLFWILICFSIAALFTKRYSVRPLIVALILRSIYYLGIGPTLNILGALNLTNKIVFVVSFVGNRGTFIRGYKAMVMDMEFLYHVGYILTSVLGLFAHELFYSILLFDLIYREETLFNVIKSVTRNGRSILLTALLALILVYLFSIVGFLFLKDDFILEVDRLPGNHSRANPLGMPHGAATFVNTCSGDNVDCVSGVSVPEVLAEDEEPDSTERACDTLLMCIVTVMNHGLRNGGGVGDILRKPSKDESLFPARVVYDLLFFFIVIIIVLNLIFGVIIDTFADLRSEKQKKEEILKTTCFICGLERDKFDNKTVSFEEHIKFEHNMWNYLYFIVLVRVKNKTDYTGPESYVAQMIKNKNLDWFPRMRAMSLVSSEGEGEQNEIRILQDKLSATMKLVSHLTAQLSELKEQMTEQRKRRQRLGFVDVQNCMSR
  
Inhibitor
Name:
BDBM50132166
Synonyms:
1,2,4,5-InsP4 | CHEMBL100498 | Phosphoric acid mono-(2,5-dihydroxy-3,4,6-tris-phosphonooxy-cyclohexyl) ester | Tetraphosphoric acid-(2,5-dihydroxy-3,4,6-tris-phosphonooxy-cyclohexyl) ester
Type:
Small organic molecule
Emp. Form.:
C6H16O18P4
Mol. Mass.:
500.0755
SMILES:
OC1C(OP(O)(O)=O)C(OP(O)(O)=O)C(O)C(OP(O)(O)=O)C1OP(O)(O)=O |(-1.78,1.18,;-.25,1.18,;.51,2.53,;-.83,3.3,;-2.32,3.7,;-2.32,5.24,;-3.81,3.3,;-3.41,4.81,;2.14,1.91,;2.13,3.44,;1.73,4.93,;3.27,4.93,;.64,6.03,;2.13,6.44,;3.4,2.33,;3.4,3.88,;2.64,.99,;4.13,.6,;4.52,-.89,;6.06,-.89,;4.12,-2.37,;2.99,-.89,;.93,1.6,;.52,.12,;.52,-1.42,;-.97,-1.81,;1.28,-2.75,;.12,-2.89,)|
Structure:
Search PDB for entries with ligand similarity: