Reaction Details |
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Target | Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B |
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Ligand | BDBM50117922 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1747337 (CHEMBL4181847) |
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IC50 | 1000±n/a nM |
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Citation | Bezençon, O; Heidmann, B; Siegrist, R; Stamm, S; Richard, S; Pozzi, D; Corminboeuf, O; Roch, C; Kessler, M; Ertel, EA; Reymond, I; Pfeifer, T; de Kanter, R; Toeroek-Schafroth, M; Moccia, LG; Mawet, J; Moon, R; Rey, M; Capeleto, B; Fournier, E Discovery of a Potent, Selective T-type Calcium Channel Blocker as a Drug Candidate for the Treatment of Generalized Epilepsies. J Med Chem60:9769-9789 (2017) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B |
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Name: | Voltage-dependent L-type calcium channel subunit beta-3/N-type calcium channel subunit alpha-1B |
Synonyms: | Cacna1b/Cacnb3 |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of ChEMBL is 1747337 |
Components: | This complex has 2 components. |
Component 1 |
Name: | Voltage-dependent N-type calcium channel subunit alpha-1B |
Synonyms: | BIII | CAC1B_RAT | Cach5 | Cacna1b | Cacnl1a5 | Calcium channel, L type, alpha-1 polypeptide isoform 5 | Voltage-gated calcium channel subunit alpha Cav2.2 | calcium channel III |
Type: | Enzyme Catalytic Domain |
Mol. Mass.: | 262310.63 |
Organism: | Rattus norvegicus (Rat) |
Description: | Q02294 |
Residue: | 2336 |
Sequence: | MVRFGDELGGRYGGTGGGERARGGGAGGAGGPGQGGLPPGQRVLYKQSIAQRARTMALYN
PIPVKQNCFTVNRSLFVFSEDNVVRKYAKRITEWPPFEYMILATIIANCIVLALEQHLPD
GDKTPMSERLDDTEPYFIGIFCFEAGIKIIALGFVFHKGSYLRNGWNVMDFVVVLTEILA
TAGTDFDLRTLRAVRVLRPLKLVSGIPSLQVVLKSIMKAMVPLLQIGLLLFFAILMFAII
GLEFYMGKFHKACFPNSTDAEPVGDFPCGKEAPARLCDSDTECREYWPGPNFGITNFDNI
LFAILTVFQCITMEGWTDILYNTNDAAGNTWNWLYFIPLIIIGSFFMLNLVLGVLSGEFA
KERERVENRRAFLKLRRQQQIERELNGYLEWIFKAEEVMLAEEDKNAEEKSPLDAVLKRA
ATKKSRNDLIHAEEGEDRFVDLCAAGSPFARASLKSGKTESSSYFRRKEKMFRFLIRRMV
KAQSFYWVVLCVVALNTLCVAMVHYNQPQRLTTALYFAEFVFLGLFLTEMSLKMYGLGPR
SYFRSSFNCFDFGVIVGSIFEVVWAAIKPGTSFGISVLRALRLLRIFKVTKYWNSLRNLV
VSLLNSMKSIISLLFLLFLFIVVFALLGMQLFGGQFNFQDETPTTNFDTFPAAILTVFQI
LTGEDWNAVMYHGIESQGGVSKGMFSSFYFIVLTLFGNYTLLNVFLAIAVDNLANAQELT
KDEEEMEEAANQKLALQKAKEVAEVSPMSAANISIAARQQNSAKARSVWEQRASQLRLQN
LRASCEALYSEMDPEERLRYASTRHVRPDMKTHMDRPLVVEPGRDGLRGPAGNKSKPEGT
EATEGADPPRRHHRHRDRDKTSASTPAGGEQDRTDCPKAESTETGAREERARPRRSHSKE
APGADTQVRCERSRRHHRRGSPEEATEREPRRHRAHRHAQDSSKEGKEGTAPVLVPKGER
RARHRGPRTGPRETENSEEPTRRHRAKHKVPPTLEPPEREVAEKESNVVEGDKETRNHQP
KEPRCDLEAIAVTGVGSLHMLPSTCLQKVDEQPEDADNQRNVTRMGSQPSDPSTTVHVPV
TLTGPPGEATVVPSANTDLEGQAEGKKEAEADDVLRRGPRPIVPYSSMFCLSPTNLLRRF
CHYIVTMRYFEMVILVVIALSSIALAAEDPVRTDSFRNNALKYMDYIFTGVFTFEMVIKM
IDLGLLLHPGAYFRDLWNILDFIVVSGALVAFAFSSFMGGSKGKDINTIKSLRVLRVLRP
LKTIKRLPKLKAVFDCVVNSLKNVLNILIVYMLFMFIFAVIAVQLFKGKFFYCTDESKEL
ERDCRGQYLDYEKEEVEAQPRQWKKYDFHYDNVLWALLTLFTVSTGEGWPMVLKHSVDAT
YEEQGPSPGFRMELSIFYVVYFVVFPFFFVNIFVALIIITFQEQGDKVMSECSLEKNERA
CIDFAISAKPLTRYMPQNKQSFQYKTWTFVVSPPFEYFIMAMIALNTVVLMMKFYDAPYE
YELMLKCLNIVFTSMFSLECILKIIAFGVLNYFRDAWNVFDFVTVLGSITDILVTEIANN
FINLSFLRLFRAARLIKLCRQGYTIRILLWTFVQSFKALPYVCLLIAMLFFIYAIIGMQV
FGNIALDDGTSINRHNNFRTFLQALMLLFRSATGEAWHEIMLSCLGNRACDPHANASECG
SDFAYFYFVSFIFLCSFLMLNLFVAVIMDNFEYLTRDSSILGPHHLDEFIRVWAEYDPAA
CGRISYNDMFEMLKHMSPPLGLGKKCPARVAYKRLVRMNMPISNEDMTVHFTSTLMALIR
TALEIKLAPAGTKQHQCDAELRKEISSVWANLPQKTLDLLVPPHKPDEMTVGKVYAALMI
FDFYKQNKTTRDQTHQAPGGLSQMGPVSLFHPLKATLEQTQPAVLRGARVFLRQKSATSL
SNGGAIQTQESGIKESLSWGTQRTQDVLYEARAPLERGHSAEIPVGQPGALAVDVQMQNM
TLRGPDGEPQPGLESQGRAASMPRLAAETQPAPNASPMKRSISTLAPRPHGTQLCNTVLD
RPPPSQVSHHHHHRCHRRRDKKQRSLEKGPSLSVDTEGAPSTAAGSGLPHGEGSTGCRRE
RKQERGRSQERRQPSSSSSEKQRFYSCDRFGSREPPQPKPSLSSHPISPTAALEPGPHPQ
GSGSVNGSPLMSTSGASTPGRGGRRQLPQTPLTPRPSITYKTANSSPVHFAEGQSGLPAF
SPGRLSRGLSEHNALLQKEPLSQPLASGSRIGSDPYLGQRLDSEASAHNLPEDTLTFEEA
VATNSGRSSRTSYVSSLTSQSHPLRRVPNGYHCTLGLSTGVRARHSYHHPDQDHWC
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Component 2 |
Name: | Voltage-dependent L-type calcium channel subunit beta-3 |
Synonyms: | CAB3 | CACB3_RAT | Cacnb3 | Cacnlb3 | Calcium channel voltage-dependent subunit beta 3 | Voltage-dependent L-type calcium channel subunit beta-3 |
Type: | PROTEIN |
Mol. Mass.: | 54560.27 |
Organism: | Rattus norvegicus |
Description: | ChEMBL_118317 |
Residue: | 484 |
Sequence: | MYDDSYVPGFEDSEAGSADSYTSRPSLDSDVSLEEDRESARREVESQAQQQLERAKHKPV
AFAVRTNVSYCGVLDEECPVQGSGVNFEAKDFLHIKEKYSNDWWIGRLVKEGGDIAFIPS
PQRLESIRLKQEQKARRSGNPSSLSDIGNRRSPPPSLAKQKQKQAEHVPPYDVVPSMRPV
VLVGPSLKGYEVTDMMQKALFDFLKHRFDGRISITRVTADLSLAKRSVLNNPGKRTIIER
SSARSSIAEVQSEIERIFELAKSLQLVVLDADTINHPAQLAKTSLAPIIVFVKVSSPKVL
QRLIRSRGKSQMKHLTVQMMAYDKLVQCPPESFDVILDENQLDDACEHLAEYLEVYWRAT
HHPAPGPGMLGPPSAIPGLQNQQLLGERGEEHSPLERDSLMPSDEASESSRQAWTGSSQR
SSRHLEEDYADAYQDLYQPHRQHTSGLPSANGHDPQDRLLAQDSEHDHNDRNWQRNRPWP
KDSY
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BDBM50117922 |
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n/a |
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Name | BDBM50117922 |
Synonyms: | (1S,2S)-2-(2-((3-(1H-benzo[d]imidazol-2-yl)propyl)(methyl)amino)ethyl)-6-fluoro-1-isopropyl-1,2,3,4-tetrahydronaphthalen-2-yl 2-methoxyacetate | 2-{2-[3-(1H-benzoimidazol-2-yl)-propylamino]-ethyl}-6-fluoro-1-isopropyl-1,2,3,4-tetrahydro-naphthalen-2-yl ester(Mibefradil)Methoxy-acetic acid | CHEMBL45816 | MIBEFRADIL | Methoxy-acetic acid (1S,2S)-2-(2-{[3-(1H-benzoimidazol-2-yl)-propyl]-methyl-amino}-ethyl)-6-fluoro-1-isopropyl-1,2,3,4-tetrahydro-naphthalen-2-yl ester | Methoxy-acetic acid 2-(2-{[3-(1H-benzoimidazol-2-yl)-propyl]-methyl-amino}-ethyl)-6-fluoro-1-isopropyl-1,2,3,4-tetrahydro-naphthalen-2-yl ester | Mibefradil dihydrochloride |
Type | Small organic molecule |
Emp. Form. | C29H38FN3O3 |
Mol. Mass. | 495.6287 |
SMILES | COCC(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)CCc2cc(F)ccc2[C@@H]1C(C)C |r| |
Structure |
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