Reaction Details Report a problem with these data
Target
Inositol 1,4,5-trisphosphate receptor type 1
Ligand
BDBM50111932
Substrate
n/a
Meas. Tech.
ChEBML_213102
Kd
620±n/a nM
Citation
 Nakanishi, W; Kikuchi, K; Inoue, T; Hirose, K; Iino, M; Nagano, T Hydrophobic modifications at 1-phosphate of inositol 1,4,5-trisphosphate analogues enhance receptor binding. Bioorg Med Chem Lett 12:911-3 (2002) [PubMed]  Article 
Target
Name:
Inositol 1,4,5-trisphosphate receptor type 1
Synonyms:
INSP3R1 | IP3 receptor isoform 1 | IP3R 1 | ITPR1 | ITPR1_HUMAN | Inositol 1,4,5-trisphosphate receptor | Type 1 InsP3 receptor | Type 1 inositol 1,4,5-trisphosphate receptor
Type:
PROTEIN
Mol. Mass.:
313899.31
Organism:
Homo sapiens (Human)
Description:
ChEMBL_213102
Residue:
2758
Sequence:
MSDKMSSFLHIGDICSLYAEGSTNGFISTLGLVDDRCVVQPETGDLNNPPKKFRDCLFKLCPMNRYSAQKQFWKAAKPGANSTTDAVLLNKLHHAADLEKKQNETENRKLLGTVIQYGNVIQLLHLKSNKYLTVNKRLPALLEKNAMRVTLDEAGNEGSWFYIQPFYKLRSIGDSVVIGDKVVLNPVNAGQPLHASSHQLVDNPGCNEVNSVNCNTSWKIVLFMKWSDNKDDILKGGDVVRLFHAEQEKFLTCDEHRKKQHVFLRTTGRQSATSATSSKALWEVEVVQHDPCRGGAGYWNSLFRFKHLATGHYLAAEVDPDFEEECLEFQPSVDPDQDASRSRLRNAQEKMVYSLVSVPEGNDISSIFELDPTTLRGGDSLVPRNSYVRLRHLCTNTWVHSTNIPIDKEEEKPVMLKIGTSPVKEDKEAFAIVPVSPAEVRDLDFANDASKVLGSIAGKLEKGTITQNERRSVTKLLEDLVYFVTGGTNSGQDVLEVVFSKPNRERQKLMREQNILKQIFKLLQAPFTDCGDGPMLRLEELGDQRHAPFRHICRLCYRVLRHSQQDYRKNQEYIAKQFGFMQKQIGYDVLAEDTITALLHNNRKLLEKHITAAEIDTFVSLVRKNREPRFLDYLSDLCVSMNKSIPVTQELICKAVLNPTNADILIETKLVLSRFEFEGVSSTGENALEAGEDEEEVWLFWRDSNKEIRSKSVRELAQDAKEGQKEDRDVLSYYRYQLNLFARMCLDRQYLAINEISGQLDVDLILRCMSDENLPYDLRASFCRLMLHMHVDRDPQEQVTPVKYARLWSEIPSEIAIDDYDSSGASKDEIKERFAQTMEFVEEYLRDVVCQRFPFSDKEKNKLTFEVVNLARNLIYFGFYNFSDLLRLTKILLAILDCVHVTTIFPISKMAKGEENKGNNDVEKLKSSNVMRSIHGVGELMTQVVLRGGGFLPMTPMAAAPEGNVKQAEPEKEDIMVMDTKLKIIEILQFILNVRLDYRISCLLCIFKREFDESNSQTSETSSGNSSQEGPSNVPGALDFEHIEEQAEGIFGGSEENTPLDLDDHGGRTFLRVLLHLTMHDYPPLVSGALQLLFRHFSQRQEVLQAFKQVQLLVTSQDVDNYKQIKQDLDQLRSIVEKSELWVYKGQGPDETMDGASGENEHKKTEEGNNKPQKHESTSSYNYRVVKEILIRLSKLCVQESASVRKSRKQQQRLLRNMGAHAVVLELLQIPYEKAEDTKMQEIMRLAHEFLQNFCAGNQQNQALLHKHINLFLNPGILEAVTMQHIFMNNFQLCSEINERVVQHFVHCIETHGRNVQYIKFLQTIVKAEGKFIKKCQDMVMAELVNSGEDVLVFYNDRASFQTLIQMMRSERDRMDENSPLMYHIHLVELLAVCTEGKNVYTEIKCNSLLPLDDIVRVVTHEDCIPEVKIAYINFLNHCYVDTEVEMKEIYTSNHMWKLFENFLVDICRACNNTSDRKHADSILEKYVTEIVMSIVTTFFSSPFSDQSTTLQTRQPVFVQLLQGVFRVYHCNWLMPSQKASVESCIRVLSDVAKSRAIAIPVDLDSQVNNLFLKSHSIVQKTAMNWRLSARNAARRDSVLAASRDYRNIIERLQDIVSALEDRLRPLVQAELSVLVDVLHRPELLFPENTDARRKCESGGFICKLIKHTKQLLEENEEKLCIKVLQTLREMMTKDRGYGEKLISIDELDNAELPPAPDSENATEELEPSPPLRQLEDHKRGEALRQVLVNRYYGNVRPSGRRESLTSFGNGPLSAGGPGKPGGGGGGSGSSSMSRGEMSLAEVQCHLDKEGASNLVIDLIMNASSDRVFHESILLAIALLEGGNTTIQHSFFCRLTEDKKSEKFFKVFYDRMKVAQQEIKATVTVNTSDLGNKKKDDEVDRDAPSRKKAKEPTTQITEEVRDQLLEASAATRKAFTTFRREADPDDHYQPGEGTQATADKAKDDLEMSAVITIMQPILRFLQLLCENHNRDLQNFLRCQNNKTNYNLVCETLQFLDCICGSTTGGLGLLGLYINEKNVALINQTLESLTEYCQGPCHENQNCIATHESNGIDIITALILNDINPLGKKRMDLVLELKNNASKLLLAIMESRHDSENAERILYNMRPKELVEVIKKAYMQGEVEFEDGENGEDGAASPRNVGHNIYILAHQLARHNKELQSMLKPGGQVDGDEALEFYAKHTAQIEIVRLDRTMEQIVFPVPSICEFLTKESKLRIYYTTERDEQGSKINDFFLRSEDLFNEMNWQKKLRAQPVLYWCARNMSFWSSISFNLAVLMNLLVAFFYPFKGVRGGTLEPHWSGLLWTAMLISLAIVIALPKPHGIRALIASTILRLIFSVGLQPTLFLLGAFNVCNKIIFLMSFVGNCGTFTRGYRAMVLDVEFLYHLLYLVICAMGLFVHEFFYSLLLFDLVYREETLLNVIKSVTRNGRSIILTAVLALILVYLFSIVGYLFFKDDFILEVDRLPNETAVPETGESLASEFLFSDVCRVESGENCSSPAPREELVPAEETEQDKEHTCETLLMCIVTVLSHGLRSGGGVGDVLRKPSKEEPLFAARVIYDLLFFFMVIIIVLNLIFGVIIDTFADLRSEKQKKEEILKTTCFICGLERDKFDNKTVTFEEHIKEEHNMWHYLCFIVLVKVKDSTEYTGPESYVAEMIKERNLDWFPRMRAMSLVSSDSEGEQNELRNLQEKLESTMKLVTNLSGQLSELKDQMTEQRKQKQRIGLLGHPPHMNVNPQQPA
  
Inhibitor
Name:
BDBM50111932
Synonyms:
CHEMBL369479 | inositol 1,4,5-Trisphosphate analogue
Type:
Small organic molecule
Emp. Form.:
C34H42N3O19P3
Mol. Mass.:
889.6273
SMILES:
CN(C)c1ccc2c(-c3ccc(cc3C([O-])=O)C(=O)NCCCOP(O)(=O)O[C@@H]3[C@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H](OP(O)(O)=O)[C@H]3O)c3ccc(cc3oc2c1)=[N+](C)C |wU:39.40,28.28,29.30,31.32,wD:33.34,45.47,(21.01,-12.39,;19.67,-11.64,;18.34,-12.41,;19.66,-10.1,;18.32,-9.33,;18.3,-7.8,;19.63,-7.03,;19.63,-5.49,;18.28,-4.74,;16.95,-5.51,;15.61,-4.74,;15.61,-3.2,;16.93,-2.43,;18.27,-3.18,;19.09,-2.22,;20.61,-1.59,;18.68,-.77,;14.27,-2.45,;14.26,-.91,;12.94,-3.22,;11.6,-2.46,;10.28,-3.24,;8.94,-2.47,;7.61,-3.25,;6.07,-3.25,;6.07,-1.71,;6.07,-4.79,;4.58,-3.66,;3.24,-4.43,;1.91,-3.65,;1.91,-2.11,;.59,-4.43,;-.75,-3.66,;.59,-5.97,;-.75,-6.74,;-2.24,-7.14,;-3.78,-7.13,;-2.24,-8.68,;-2.64,-5.65,;1.91,-6.73,;1.91,-8.27,;1.91,-9.81,;3.45,-9.81,;1.89,-11.35,;.37,-9.81,;3.24,-5.97,;4.58,-6.74,;20.93,-4.71,;20.93,-3.16,;22.22,-2.4,;23.57,-3.15,;23.59,-4.69,;22.27,-5.46,;22.29,-7.01,;20.96,-7.79,;20.98,-9.32,;24.9,-2.36,;26.24,-3.13,;24.88,-.82,)|
Structure:
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