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Target
Calcium release-activated calcium channel protein 1/Short transient receptor potential channel 1/Short transient receptor potential channel 3/Stromal interaction molecule 1
Ligand
BDBM50450626
Substrate
n/a
Meas. Tech.
ChEMBL_1742932 (CHEMBL4158682)
IC50
600±n/a nM
Citation
 Riva, B; Griglio, A; Serafini, M; Cordero-Sanchez, C; Aprile, S; Di Paola, R; Gugliandolo, E; Alansary, D; Biocotino, I; Lim, D; Grosa, G; Galli, U; Niemeyer, B; Sorba, G; Canonico, PL; Cuzzocrea, S; Genazzani, AA; Pirali, T Pyrtriazoles, a Novel Class of Store-Operated Calcium Entry Modulators: Discovery, Biological Profiling, and in Vivo Proof-of-Concept Efficacy in Acute Pancreatitis. J Med Chem 61:9756-9783 (2018) [PubMed]  Article 
Target
Name:
Calcium release-activated calcium channel protein 1/Short transient receptor potential channel 1/Short transient receptor potential channel 3/Stromal interaction molecule 1
Synonyms:
Short transient receptor potential channel 1 & 3/Stromal interaction molecule 1/Calcium release-activated calcium channel protein 1
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 1742932
Components:
This complex has 4 components.
Component 1
Name:
Calcium release-activated calcium channel protein 1
Synonyms:
CRACM1 | CRCM1_HUMAN | Calcium channel (VER) | Calcium release-activated calcium channel | Calcium release-activated calcium channel protein 1 | ORAI1 | Protein orai-1 | TMEM142A | Transmembrane protein 142A
Type:
Protein
Mol. Mass.:
32676.63
Organism:
Homo sapiens (Human)
Description:
Q96D31
Residue:
301
Sequence:
MHPEPAPPPSRSSPELPPSGGSTTSGSRRSRRRSGDGEPPGAPPPPPSAVTYPDWIGQSYSEVMSLNEHSMQALSWRKLYLSRAKLKASSRTSALLSGFAMVAMVEVQLDADHDYPPGLLIAFSACTTVLVAVHLFALMISTCILPNIEAVSNVHNLNSVKESPHERMHRHIELAWAFSTVIGTLLFLAEVVLLCWVKFLPLKKQPGQPRPTSKPPASGAAANVSTSGITPGQAAAIASTTIMVPFGLIFIVFAVHFYRSLVSHKTDRQFQELNELAEFARLQDQLDHRGDHPLTPGSHYA
  
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
  
Component 3
Name:
Stromal interaction molecule 1
Synonyms:
GOK | STIM1 | STIM1_HUMAN | Stromal interaction molecule 1
Type:
PROTEIN
Mol. Mass.:
77425.50
Organism:
Homo sapiens
Description:
ChEMBL_118315
Residue:
685
Sequence:
MDVCVRLALWLLWGLLLHQGQSLSHSHSEKATGTSSGANSEESTAAEFCRIDKPLCHSEDEKLSFEAVRNIHKLMDDDANGDVDVEESDEFLREDLNYHDPTVKHSTFHGEDKLISVEDLWKAWKSSEVYNWTVDEVVQWLITYVELPQYEETFRKLQLSGHAMPRLAVTNTTMTGTVLKMTDRSHRQKLQLKALDTVLFGPPLLTRHNHLKDFMLVVSIVIGVGGCWFAYIQNRYSKEHMKKMMKDLEGLHRAEQSLHDLQERLHKAQEEHRTVEVEKVHLEKKLRDEINLAKQEAQRLKELREGTENERSRQKYAEEELEQVREALRKAEKELESHSSWYAPEALQKWLQLTHEVEVQYYNIKKQNAEKQLLVAKEGAEKIKKKRNTLFGTFHVAHSSSLDDVDHKILTAKQALSEVTAALRERLHRWQQIEILCGFQIVNNPGIHSLVAALNIDPSWMGSTRPNPAHFIMTDDVDDMDEEIVSPLSMQSPSLQSSVRQRLTEPQHGLGSQRDLTHSDSESSLHMSDRQRVAPKPPQMSRAADEALNAMTSNGSHRLIEGVHPGSLVEKLPDSPALAKKALLALNHGLDKAHSLMELSPSAPPGGSPHLDSSRSHSPSSPDPDTPSPVGDSRALQASRNTRIPHLAGKKAVAEEDNGSIGEETDSSPGRKKFPLKIFKKPLKK
  
Component 4
Name:
Short transient receptor potential channel 1
Synonyms:
Short transient receptor potential channel 1 | TRP-1 | TRP1 | TRPC1 | TRPC1_HUMAN | Transient receptor protein 1
Type:
PROTEIN
Mol. Mass.:
91225.07
Organism:
Homo sapiens
Description:
ChEMBL_118314
Residue:
793
Sequence:
MMAALYPSTDLSGASSSSLPSSPSSSSPNEVMALKDVREVKEENTLNEKLFLLACDKGDYYMVKKILEENSSGDLNINCVDVLGRNAVTITIENENLDILQLLLDYGCQSADALLVAIDSEVVGAVDILLNHRPKRSSRPTIVKLMERIQNPEYSTTMDVAPVILAAHRNNYEILTMLLKQDVSLPKPHAVGCECTLCSAKNKKDSLRHSRFRLDIYRCLASPALIMLTEEDPILRAFELSADLKELSLVEVEFRNDYEELARQCKMFAKDLLAQARNSRELEVILNHTSSDEPLDKRGLLEERMNLSRLKLAIKYNQKEFVSQSNCQQFLNTVWFGQMSGYRRKPTCKKIMTVLTVGIFWPVLSLCYLIAPKSQFGRIIHTPFMKFIIHGASYFTFLLLLNLYSLVYNEDKKNTMGPALERIDYLLILWIIGMIWSDIKRLWYEGLEDFLEESRNQLSFVMNSLYLATFALKVVAHNKFHDFADRKDWDAFHPTLVAEGLFAFANVLSYLRLFFMYTTSSILGPLQISMGQMLQDFGKFLGMFLLVLFSFTIGLTQLYDKGYTSKEQKDCVGIFCEQQSNDTFHSFIGTCFALFWYIFSLAHVAIFVTRFSYGEELQSFVGAVIVGTYNVVVVIVLTKLLVAMLHKSFQLIANHEDKEWKFARAKLWLSYFDDKCTLPPPFNIIPSPKTICYMISSLSKWICSHTSKGKVKRQNSLKEWRNLKQKRDENYQKVMCCLVHRYLTSMRQKMQSTDQATVENLNELRQDLSKFRNEIRDLLGFRTSKYAMFYPRN
  
Inhibitor
Name:
BDBM50450626
Synonyms:
CHEMBL4162723
Type:
Small organic molecule
Emp. Form.:
C22H16F3N5O4
Mol. Mass.:
471.3887
SMILES:
CCOC(=O)c1cnn(c1C(F)(F)F)-c1ccc(cc1)-n1cc(nn1)-c1cccc(c1)C(O)=O
Structure:
Search PDB for entries with ligand similarity: