| Reaction Details |
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 | Report a problem with these data |
| Target | Calcium release-activated calcium channel protein/Stromal interaction molecule 1 |
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| Ligand | BDBM50549364 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2024560 (CHEMBL4678373) |
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| IC50 | 1790±n/a nM |
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| 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 Chem63:14761-14779 (2020) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Calcium release-activated calcium channel protein/Stromal interaction molecule 1 |
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| Name: | Calcium release-activated calcium channel protein/Stromal interaction molecule 1 |
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| Synonyms: | ORAI1/STIM1 |
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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 2024560 |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Calcium release-activated calcium channel protein 1 |
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| 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 |
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| Type: | Protein |
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| Mol. Mass.: | 32676.63 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q96D31 |
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| Residue: | 301 |
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| Sequence: | MHPEPAPPPSRSSPELPPSGGSTTSGSRRSRRRSGDGEPPGAPPPPPSAVTYPDWIGQSY
SEVMSLNEHSMQALSWRKLYLSRAKLKASSRTSALLSGFAMVAMVEVQLDADHDYPPGLL
IAFSACTTVLVAVHLFALMISTCILPNIEAVSNVHNLNSVKESPHERMHRHIELAWAFST
VIGTLLFLAEVVLLCWVKFLPLKKQPGQPRPTSKPPASGAAANVSTSGITPGQAAAIAST
TIMVPFGLIFIVFAVHFYRSLVSHKTDRQFQELNELAEFARLQDQLDHRGDHPLTPGSHY
A
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| Component 2 |
| Name: | Stromal interaction molecule 1 |
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| Synonyms: | GOK | STIM1 | STIM1_HUMAN | Stromal interaction molecule 1 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 77425.50 |
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| Organism: | Homo sapiens |
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| Description: | ChEMBL_118315 |
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| Residue: | 685 |
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| Sequence: | MDVCVRLALWLLWGLLLHQGQSLSHSHSEKATGTSSGANSEESTAAEFCRIDKPLCHSED
EKLSFEAVRNIHKLMDDDANGDVDVEESDEFLREDLNYHDPTVKHSTFHGEDKLISVEDL
WKAWKSSEVYNWTVDEVVQWLITYVELPQYEETFRKLQLSGHAMPRLAVTNTTMTGTVLK
MTDRSHRQKLQLKALDTVLFGPPLLTRHNHLKDFMLVVSIVIGVGGCWFAYIQNRYSKEH
MKKMMKDLEGLHRAEQSLHDLQERLHKAQEEHRTVEVEKVHLEKKLRDEINLAKQEAQRL
KELREGTENERSRQKYAEEELEQVREALRKAEKELESHSSWYAPEALQKWLQLTHEVEVQ
YYNIKKQNAEKQLLVAKEGAEKIKKKRNTLFGTFHVAHSSSLDDVDHKILTAKQALSEVT
AALRERLHRWQQIEILCGFQIVNNPGIHSLVAALNIDPSWMGSTRPNPAHFIMTDDVDDM
DEEIVSPLSMQSPSLQSSVRQRLTEPQHGLGSQRDLTHSDSESSLHMSDRQRVAPKPPQM
SRAADEALNAMTSNGSHRLIEGVHPGSLVEKLPDSPALAKKALLALNHGLDKAHSLMELS
PSAPPGGSPHLDSSRSHSPSSPDPDTPSPVGDSRALQASRNTRIPHLAGKKAVAEEDNGS
IGEETDSSPGRKKFPLKIFKKPLKK
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| BDBM50549364 |
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| n/a |
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| Name | BDBM50549364 |
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| Synonyms: | CHEMBL4742960 |
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| Type | Small organic molecule |
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| Emp. Form. | C23H19N3O4 |
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| Mol. Mass. | 401.4147 |
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| SMILES | COc1ccc(OC)c(c1)-c1ccc(cc1)-c1cn(nn1)-c1cccc(c1)C(O)=O |
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| Structure | 
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