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Target
Short transient receptor potential channel 3/6
Ligand
BDBM50505550
Substrate
n/a
Meas. Tech.
ChEMBL_1883245 (CHEMBL4384744)
IC50
>30000±n/a nM
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 Chem 61:11209-11220 (2018) [PubMed]  Article 
Target
Name:
Short transient receptor potential channel 3/6
Synonyms:
TRPC3/TRPC6
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 1883245
Components:
This complex has 2 components.
Component 1
Name:
Short transient receptor potential channel 6
Synonyms:
TRP-6 | TRP6 | TRPC6 | TRPC6_HUMAN | Transient receptor protein 6
Type:
PROTEIN
Mol. Mass.:
106326.67
Organism:
Homo sapiens (Human)
Description:
ChEMBL_107640
Residue:
931
Sequence:
MSQSPAFGPRRGSSPRGAAGAAARRNESQDYLLMDSELGEDGCPQAPLPCYGYYPCFRGSDNRLAHRRQTVLREKGRRLANRGPAYMFSDRSTSLSIEEERFLDAAEYGNIPVVRKMLEECHSLNVNCVDYMGQNALQLAVANEHLEITELLLKKENLSRVGDALLLAISKGYVRIVEAILSHPAFAEGKRLATSPSQSELQQDDFYAYDEDGTRFSHDVTPIILAAHCQEYEIVHTLLRKGARIERPHDYFCKCNDCNQKQKHDSFSHSRSRINAYKGLASPAYLSLSSEDPVMTALELSNELAVLANIEKEFKNDYKKLSMQCKDFVVGLLDLCRNTEEVEAILNGDVETLQSGDHGRPNLSRLKLAIKYEVKKFVAHPNCQQQLLSIWYENLSGLRQQTMAVKFLVVLAVAIGLPFLALIYWFAPCSKMGKIMRGPFMKFVAHAASFTIFLGLLVMNAADRFEGTKLLPNETSTDNAKQLFRMKTSCFSWMEMLIISWVIGMIWAECKEIWTQGPKEYLFELWNMLDFGMLAIFAASFIARFMAFWHASKAQSIIDANDTLKDLTKVTLGDNVKYYNLARIKWDPSDPQIISEGLYAIAVVLSFSRIAYILPANESFGPLQISLGRTVKDIFKFMVIFIMVFVAFMIGMFNLYSYYIGAKQNEAFTTVEESFKTLFWAIFGLSEVKSVVINYNHKFIENIGYVLYGVYNVTMVIVLLNMLIAMINSSFQEIEDDADVEWKFARAKLWFSYFEEGRTLPVPFNLVPSPKSLFYLLLKLKKWISELFQGHKKGFQEDAEMNKINEEKKLGILGSHEDLSKLSLDKKQVGHNKQPSIRSSEDFHLNSFNNPPRQYQKIMKRLIKRYVLQAQIDKESDEVNEGELKEIKQDISSLRYELLEEKSQNTEDLAELIRELGEKLSMEPNQEETNR
  
Component 2
Name:
Short transient receptor potential channel 3
Synonyms:
TRP-3 | TRP3 | TRPC3 | TRPC3_HUMAN | Transient receptor protein 3 | hTrp-3 | hTrp3
Type:
PROTEIN
Mol. Mass.:
96009.35
Organism:
Homo sapiens (Human)
Description:
ChEMBL_107641
Residue:
836
Sequence:
MREKGRRQAVRGPAFMFNDRGTSLTAEEERFLDAAEYGNIPVVRKMLEESKTLNVNCVDYMGQNALQLAVGNEHLEVTELLLKKENLARIGDALLLAISKGYVRIVEAILNHPGFAASKRLTLSPCEQELQDDDFYAYDEDGTRFSPDITPIILAAHCQKYEVVHMLLMKGARIERPHDYFCKCGDCMEKQRHDSFSHSRSRINAYKGLASPAYLSLSSEDPVLTALELSNELAKLANIEKEFKNDYRKLSMQCKDFVVGVLDLCRDSEEVEAILNGDLESAEPLEVHRHKASLSRVKLAIKYEVKKFVAHPNCQQQLLTIWYENLSGLREQTIAIKCLVVLVVALGLPFLAIGYWIAPCSRLGKILRSPFMKFVAHAASFIIFLGLLVFNASDRFEGITTLPNITVTDYPKQIFRVKTTQFTWTEMLIMVWVLGMMWSECKELWLEGPREYILQLWNVLDFGMLSIFIAAFTARFLAFLQATKAQQYVDSYVQESDLSEVTLPPEIQYFTYARDKWLPSDPQIISEGLYAIAVVLSFSRIAYILPANESFGPLQISLGRTVKDIFKFMVLFIMVFFAFMIGMFILYSYYLGAKVNAAFTTVEESFKTLFWSIFGLSEVTSVVLKYDHKFIENIGYVLYGIYNVTMVVVLLNMLIAMINSSYQEIEDDSDVEWKFARSKLWLSYFDDGKTLPPPFSLVPSPKSFVYFIMRIVNFPKCRRRRLQKDIEMGMGNSKSRLNLFTQSNSRVFESHSFNSILNQPTRYQQIMKRLIKRYVLKAQVDKENDEVNEGELKEIKQDISSLRYELLEDKSQATEELAILIHKLSEKLNPSMLRCE
  
Inhibitor
Name:
BDBM50505550
Synonyms:
CHEMBL4439190 | US11260049, Ex. 2
Type:
Small organic molecule
Emp. Form.:
C18H16Cl2N2O6S2
Mol. Mass.:
491.365
SMILES:
OC[C@]1(O)CN(C[C@@H]1S(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(cc1Cl)C#N |r|
Structure:
Search PDB for entries with ligand similarity: