| Reaction Details |
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 | Report a problem with these data |
| Target | Voltage-dependent L-type calcium channel subunit beta-1/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1 |
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| Ligand | BDBM50017702 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_622632 (CHEMBL1104120) |
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| IC50 | 80±n/a nM |
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| Citation |  Zamponi, GW; Feng, ZP; Zhang, L; Pajouhesh, H; Ding, Y; Belardetti, F; Pajouhesh, H; Dolphin, D; Mitscher, LA; Snutch, TP Scaffold-based design and synthesis of potent N-type calcium channel blockers. Bioorg Med Chem Lett19:6467-72 (2009) [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-1/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1 |
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| Name: | Voltage-dependent L-type calcium channel subunit beta-1/N-type calcium channel subunit alpha-1B/calcium channel subunit alpha-2/delta-1 |
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| Synonyms: | Voltage-dependent L-type calcium channel subunit beta-1/alpha-1B/alpha-2/delta-1 |
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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 622632 |
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| Components: | This complex has 3 components. |
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| Component 1 |
| Name: | Voltage-dependent calcium channel subunit alpha-2/delta-1 |
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| Synonyms: | CA2D1_RAT | Cacna2d1 | Cacnl2a | Cchl2a | Voltage-gated calcium channel alpha2/delta subunit 1 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 123802.11 |
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| Organism: | Rattus norvegicus |
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| Description: | ChEMBL_348646 |
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| Residue: | 1091 |
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| Sequence: | MAAGCLLALTLTLFQSWLIGPSSEEPFPSPVTIKSWVDKMQEDLVTLAKTASGVTQLADI
YEKYQDLYTVEPNNARQLVEIAARDIEKLLSNRSKALVRLAMEAEKVQAAHQWREDFASN
EVVYYNAKDDLDPERNESESGSQRIKPVFIEDANFGRQISYQHAAVHIPTDIYEGSTIVL
NELNWTSALDEVFKRNRDEDPTLLWQVFAADRLARYYPASPWVDNSRTPNKIDLYDVRRR
PWYIQGAASPKDMLILVDVSGSVSGLTLKLIRTSVSEMLETLSDDDFVNVASFNSNAQDV
SCFQHLVQANVRNKKVLKDAVNNITAKGITDYKKGFTFAFEQLLNYNVSRANCNKIIMLF
TDGGEERAQEIFAKYNKDKKVRVFTFSVGQHNYDRGPIQWMACENKGYYYEIPSIGAIRI
NTQEYLDVLGRPMVLAGDKAKQVQWTNVYLDALELGLVITGTLPVFNVTGQSENKTNLKN
QLILGVMGVDVSLEDIKRLTPRFTLCPNGYYFAIDPNGYVLLHPNLQPKNPKSQEPVTLD
FLDAELENDIKVEIRNKMIDGESGEKTFRTLVKSQDERYIDKGNRTYTWTPVNGTDYRYL
ALVLPTYSFYYIKAKIEETITQARSKKGKMKDSETLKPDNFEESGYTFIAPREYCNDLKP
SDNNTEFLLNFNEFIDRKTPNNPSCNTDLINRILLDAGFTNELVQNYWSKQKNIKGVKAR
FVVTDGGITRVYPKEAGENWQENPETYEDSFYKRSLDNDNYVFTAPYFNKSGPGAYESGI
MVSKAVELYIQGKLLKPAVVGIKIDVNSWIENFTKTSIRDPCAGPVCDCKRNSDVMDCVI
LDDGGFLLMANHDDYTNQIGRFFGEIDPRMMRHLVNISLYAFNKSYDYQSVCDPGAAPKQ
GAGHRSAYVPSITDILQIGWWATAAAWSILQQLLLSLTFPRLLEAVEMEEDDFTASLSKQ
SCITEQTQYFFKNDTKSFSGLLDCGNCSRIFHVEKLMNTNLVFIMVESKGTCPCDTRLLM
QAEQTSDGPDPCDMVKQPRYRKGPDVCFDNNVLEDYTDCGGVSGLNPSLWSIFGLQFILL
WLVSGSRHYLW
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| Component 2 |
| Name: | Voltage-dependent N-type calcium channel subunit alpha-1B |
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| 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 |
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| Type: | Enzyme Catalytic Domain |
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| Mol. Mass.: | 262310.63 |
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| Organism: | Rattus norvegicus (Rat) |
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| Description: | Q02294 |
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| Residue: | 2336 |
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| 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 3 |
| Name: | Voltage-dependent L-type calcium channel subunit beta-1 |
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| Synonyms: | CAB1 | CACB1_RAT | Cacnb1 | Cacnlb1 | Calcium channel voltage-dependent subunit beta 1 | Voltage-dependent L-type calcium channel subunit beta-1 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 65679.27 |
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| Organism: | Rattus norvegicus |
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| Description: | ChEMBL_117293 |
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| Residue: | 597 |
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| Sequence: | MVQKSGMSRGPYPPSQEIPMEVFDPSPQGKYSKRKGRFKRSDGSTSSDTTSNSFVRQGSA
ESYTSRPSDSDVSLEEDREALRKEAERQALAQLEKAKTKPVAFAVRTNVGYNPSPGDEVP
VQGVAITFEPKDFLHIKEKYNNDWWIGRLVKEGCEVGFIPSPVKLDSLRLLQEQTLRQNR
LSSSKSGDNSSSSLGDVVTGTRRPTPPASAKQKQKSTEHVPPYDVVPSMRPIILVGPSLK
GYEVTDMMQKALFDFLKHRFDGRISITRVTADISLAKRSVLNNPSKHIIIERSNTRSSLA
EVQSEIERIFELARTLQLVALDADTINHPAQLSKTSLAPIIVYIKITSPKVLQRLIKSRG
KSQSKHLNVQIAASEKLAQCPPEMFDIILDENQLEDACEHLAEYLEAYWKATHPPSRTPP
NPLLNRTMATAALAVSPAPVSNLQGPYLVSGDQPLDRATGEHASVHEYPGELGQPPGLYP
SNHPPGRAGTLWALSRQDTFDADTPGSRNSVYTEPGDSCVDMETDPSEGPGPGDPAGGGT
PPARQGSWEEEEDYEEEMTDNRNRGRNKARYCAEGGGPVLGRNKNELEGWGQGVYIR
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| BDBM50017702 |
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| n/a |
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| Name | BDBM50017702 |
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| Synonyms: | 1-(bis(4-fluorophenyl)methyl)-4-cinnamylpiperazine | 1-[Bis-(4-fluoro-phenyl)-methyl]-4-((E)-3-phenyl-allyl)-piperazine | 1-[Bis-(4-fluoro-phenyl)-methyl]-4-(3-phenyl-allyl)-piperazine | 1-[Bis-(4-fluoro-phenyl)-methyl]-4-(3-phenyl-allyl)-piperazine(flunarizine) | CHEMBL30008 | CHEMBL539027 | Flunarizine | NCGC00018102 | cid_6365505 |
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| Type | Small organic molecule |
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| Emp. Form. | C26H26F2N2 |
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| Mol. Mass. | 404.4948 |
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| SMILES | Fc1ccc(cc1)C(N1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1 |
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| Structure | 
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