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Target
Calcium release-activated calcium channel protein/Stromal interaction molecule 1
Ligand
BDBM50575331
Substrate
n/a
Meas. Tech.
ChEMBL_2124927 (CHEMBL4834160)
IC50
76±n/a nM
Citation
 Khedkar, NR; Irlapatti, NR; Dadke, D; Kanoje, V; Shaikh, Z; Karche, V; Shinde, V; Deshmukh, G; Patil, A; Jachak, S; Phukan, S; Kizhakinagath, PA; Gholve, M; Bhankhede, T; Daler, J; Nemade, HN; Budhe, S; Pareek, H; Yeshodharan, R; Gupta, R; Kalia, A; Pandey, D; Wagh, A; Kumar, S; Patil, V; Modi, D; Sharma, N; Ahirrao, P; Mehta, M; Kumar, H; Nigade, P; Tamane, K; Mallurwar, S; Kuldharan, S; Pawar, S; Vishwase, G; Bokan, S; Singh, M; Naik, K; Ingawale, S; Shankar, R; Kamalakannan, P; Venugopal, S; George, SK; Padiya, KJ; Nemmani, KVS; Gundu, J; Bhonde, M; Narasimham, L; Sindkhedkar, M; Shah, C; Sinha, N; Sharma, S; Bakhle, D; Kamboj, RK; Palle, VP Discovery of a Novel Potent and Selective Calcium Release-Activated Calcium Channel Inhibitor: 2,6-Difluoro- J Med Chem 64:17004-17030 (2021) [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:
BDBM50575331
Synonyms:
CHEMBL4868242
Type:
Small organic molecule
Emp. Form.:
C23H17F2N3O3
Mol. Mass.:
421.3962
SMILES:
Cc1c(cccc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1)-c1nn(C)c(=O)o1
Structure:
Search PDB for entries with ligand similarity: