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Target
Calcium release-activated calcium channel protein/Stromal interaction molecule 1
Ligand
BDBM50018011
Substrate
n/a
Meas. Tech.
ChEMBL_2024560 (CHEMBL4678373)
IC50
4300±n/a nM
Citation
 Serafini, M; Cordero-Sanchez, C; Di Paola, R; Bhela, IP; Aprile, S; Purghè, B; Fusco, R; Cuzzocrea, S; Genazzani, AA; Riva, B; Pirali, T Store-Operated Calcium Entry as a Therapeutic Target in Acute Pancreatitis: Discovery and Development of Drug-Like SOCE Inhibitors. J Med Chem 63:14761-14779 (2020) [PubMed]  Article 
Target
Name:
Calcium release-activated calcium channel protein/Stromal interaction molecule 1
Synonyms:
ORAI1/STIM1
Type:
n/a
Mol. Mass.:
n/a
Description:
ASSAY_ID of ChEMBL is 2024560
Components:
This complex has 2 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:
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
  
Inhibitor
Name:
BDBM50018011
Synonyms:
Aubagio | CHEBI:68540 | HMR-1726 | TERIFLUNOMIDE
Type:
Small organic molecule
Emp. Form.:
C12H9F3N2O2
Mol. Mass.:
270.2073
SMILES:
C\C(O)=C(/C#N)C(=O)Nc1ccc(cc1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: