| Reaction Details |
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 | Report a problem with these data |
| Target | Short transient receptor potential channel 3/6 |
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| Ligand | BDBM50505550 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1883245 (CHEMBL4384744) |
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| IC50 | >30000±n/a nM |
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| Citation |  Pero, JE; Matthews, JM; Behm, DJ; Brnardic, EJ; Brooks, C; Budzik, BW; Costell, MH; Donatelli, CA; Eisennagel, SH; Erhard, K; Fischer, MC; Holt, DA; Jolivette, LJ; Li, H; Li, P; McAtee, JJ; McCleland, BW; Pendrak, I; Posobiec, LM; Rivera, KLK; Rivero, RA; Roethke, TJ; Sender, MR; Shu, A; Terrell, LR; Vaidya, K; Xu, X; Lawhorn, BG Design and Optimization of Sulfone Pyrrolidine Sulfonamide Antagonists of Transient Receptor Potential Vanilloid-4 with in Vivo Activity in a Pulmonary Edema Model. J Med Chem61:11209-11220 (2018) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Short transient receptor potential channel 3/6 |
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| Name: | Short transient receptor potential channel 3/6 |
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| Synonyms: | TRPC3/TRPC6 |
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| Type: | n/a |
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| Mol. Mass.: | n/a |
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| Description: | ASSAY_ID of ChEMBL is 1883245 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Short transient receptor potential channel 6 |
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| Synonyms: | TRP-6 | TRP6 | TRPC6 | TRPC6_HUMAN | Transient receptor protein 6 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 106326.67 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_107640 |
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| Residue: | 931 |
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| Sequence: | MSQSPAFGPRRGSSPRGAAGAAARRNESQDYLLMDSELGEDGCPQAPLPCYGYYPCFRGS
DNRLAHRRQTVLREKGRRLANRGPAYMFSDRSTSLSIEEERFLDAAEYGNIPVVRKMLEE
CHSLNVNCVDYMGQNALQLAVANEHLEITELLLKKENLSRVGDALLLAISKGYVRIVEAI
LSHPAFAEGKRLATSPSQSELQQDDFYAYDEDGTRFSHDVTPIILAAHCQEYEIVHTLLR
KGARIERPHDYFCKCNDCNQKQKHDSFSHSRSRINAYKGLASPAYLSLSSEDPVMTALEL
SNELAVLANIEKEFKNDYKKLSMQCKDFVVGLLDLCRNTEEVEAILNGDVETLQSGDHGR
PNLSRLKLAIKYEVKKFVAHPNCQQQLLSIWYENLSGLRQQTMAVKFLVVLAVAIGLPFL
ALIYWFAPCSKMGKIMRGPFMKFVAHAASFTIFLGLLVMNAADRFEGTKLLPNETSTDNA
KQLFRMKTSCFSWMEMLIISWVIGMIWAECKEIWTQGPKEYLFELWNMLDFGMLAIFAAS
FIARFMAFWHASKAQSIIDANDTLKDLTKVTLGDNVKYYNLARIKWDPSDPQIISEGLYA
IAVVLSFSRIAYILPANESFGPLQISLGRTVKDIFKFMVIFIMVFVAFMIGMFNLYSYYI
GAKQNEAFTTVEESFKTLFWAIFGLSEVKSVVINYNHKFIENIGYVLYGVYNVTMVIVLL
NMLIAMINSSFQEIEDDADVEWKFARAKLWFSYFEEGRTLPVPFNLVPSPKSLFYLLLKL
KKWISELFQGHKKGFQEDAEMNKINEEKKLGILGSHEDLSKLSLDKKQVGHNKQPSIRSS
EDFHLNSFNNPPRQYQKIMKRLIKRYVLQAQIDKESDEVNEGELKEIKQDISSLRYELLE
EKSQNTEDLAELIRELGEKLSMEPNQEETNR
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| Component 2 |
| Name: | Short transient receptor potential channel 3 |
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| Synonyms: | TRP-3 | TRP3 | TRPC3 | TRPC3_HUMAN | Transient receptor protein 3 | hTrp-3 | hTrp3 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 96009.35 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_107641 |
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| Residue: | 836 |
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| Sequence: | MREKGRRQAVRGPAFMFNDRGTSLTAEEERFLDAAEYGNIPVVRKMLEESKTLNVNCVDY
MGQNALQLAVGNEHLEVTELLLKKENLARIGDALLLAISKGYVRIVEAILNHPGFAASKR
LTLSPCEQELQDDDFYAYDEDGTRFSPDITPIILAAHCQKYEVVHMLLMKGARIERPHDY
FCKCGDCMEKQRHDSFSHSRSRINAYKGLASPAYLSLSSEDPVLTALELSNELAKLANIE
KEFKNDYRKLSMQCKDFVVGVLDLCRDSEEVEAILNGDLESAEPLEVHRHKASLSRVKLA
IKYEVKKFVAHPNCQQQLLTIWYENLSGLREQTIAIKCLVVLVVALGLPFLAIGYWIAPC
SRLGKILRSPFMKFVAHAASFIIFLGLLVFNASDRFEGITTLPNITVTDYPKQIFRVKTT
QFTWTEMLIMVWVLGMMWSECKELWLEGPREYILQLWNVLDFGMLSIFIAAFTARFLAFL
QATKAQQYVDSYVQESDLSEVTLPPEIQYFTYARDKWLPSDPQIISEGLYAIAVVLSFSR
IAYILPANESFGPLQISLGRTVKDIFKFMVLFIMVFFAFMIGMFILYSYYLGAKVNAAFT
TVEESFKTLFWSIFGLSEVTSVVLKYDHKFIENIGYVLYGIYNVTMVVVLLNMLIAMINS
SYQEIEDDSDVEWKFARSKLWLSYFDDGKTLPPPFSLVPSPKSFVYFIMRIVNFPKCRRR
RLQKDIEMGMGNSKSRLNLFTQSNSRVFESHSFNSILNQPTRYQQIMKRLIKRYVLKAQV
DKENDEVNEGELKEIKQDISSLRYELLEDKSQATEELAILIHKLSEKLNPSMLRCE
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| BDBM50505550 |
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| n/a |
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| Name | BDBM50505550 |
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| Synonyms: | CHEMBL4439190 | US11260049, Ex. 2 |
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| Type | Small organic molecule |
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| Emp. Form. | C18H16Cl2N2O6S2 |
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| Mol. Mass. | 491.365 |
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| SMILES | OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1Cl)C#N |r| |
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| Structure | 
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