Reaction Details Report a problem with these data
Target
Inositol 1,4,5-trisphosphate receptor type 3
Ligand
BDBM50075183
Substrate
n/a
Meas. Tech.
ChEMBL_89964 (CHEMBL699739)
IC50
14000±n/a nM
Citation
 Ballereau, S; Guédat, P; Poirier, SN; Guillemette, G; Spiess, B; Schlewer, G Synthesis, acid-base behavior, and binding properties of 6-modified myo-inositol 1,4,5-tris(phosphate)s. J Med Chem 42:4824-35 (1999) [PubMed]  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:
BDBM50075183
Synonyms:
1,4,5-Insp3 | 1D-myo-inositol 1,4,5-triphosphate | 1D-myo-inositol 1,4,5-tris(dihydrogen phosphate) | 1D-myo-inositol 1,4,5-trisphosphate | 3,5,6-trioxyphosphate-1,2,4-cyclohexanetriol | CHEMBL279107 | D-myo-inositol 1,4,5-trisphosphate | IP3 | InsP3
Type:
Small organic molecule
Emp. Form.:
C6H15O15P3
Mol. Mass.:
420.0956
SMILES:
O[C@@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@@H](O)[C@@H]1OP(O)(O)=O
Structure:
Search PDB for entries with ligand similarity: