Reaction Details |
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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 | BDBM50095765 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_622632 (CHEMBL1104120) |
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IC50 | 90±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 |
Synonyms: | Voltage-dependent L-type calcium channel subunit beta-1/alpha-1B/alpha-2/delta-1 |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of ChEMBL is 622632 |
Components: | This complex has 3 components. |
Component 1 |
Name: | Voltage-dependent calcium channel subunit alpha-2/delta-1 |
Synonyms: | CA2D1_RAT | Cacna2d1 | Cacnl2a | Cchl2a | Voltage-gated calcium channel alpha2/delta subunit 1 |
Type: | PROTEIN |
Mol. Mass.: | 123802.11 |
Organism: | Rattus norvegicus |
Description: | ChEMBL_348646 |
Residue: | 1091 |
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 |
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 3 |
Name: | Voltage-dependent L-type calcium channel subunit beta-1 |
Synonyms: | CAB1 | CACB1_RAT | Cacnb1 | Cacnlb1 | Calcium channel voltage-dependent subunit beta 1 | Voltage-dependent L-type calcium channel subunit beta-1 |
Type: | PROTEIN |
Mol. Mass.: | 65679.27 |
Organism: | Rattus norvegicus |
Description: | ChEMBL_117293 |
Residue: | 597 |
Sequence: | MVQKSGMSRGPYPPSQEIPMEVFDPSPQGKYSKRKGRFKRSDGSTSSDTTSNSFVRQGSA
ESYTSRPSDSDVSLEEDREALRKEAERQALAQLEKAKTKPVAFAVRTNVGYNPSPGDEVP
VQGVAITFEPKDFLHIKEKYNNDWWIGRLVKEGCEVGFIPSPVKLDSLRLLQEQTLRQNR
LSSSKSGDNSSSSLGDVVTGTRRPTPPASAKQKQKSTEHVPPYDVVPSMRPIILVGPSLK
GYEVTDMMQKALFDFLKHRFDGRISITRVTADISLAKRSVLNNPSKHIIIERSNTRSSLA
EVQSEIERIFELARTLQLVALDADTINHPAQLSKTSLAPIIVYIKITSPKVLQRLIKSRG
KSQSKHLNVQIAASEKLAQCPPEMFDIILDENQLEDACEHLAEYLEAYWKATHPPSRTPP
NPLLNRTMATAALAVSPAPVSNLQGPYLVSGDQPLDRATGEHASVHEYPGELGQPPGLYP
SNHPPGRAGTLWALSRQDTFDADTPGSRNSVYTEPGDSCVDMETDPSEGPGPGDPAGGGT
PPARQGSWEEEEDYEEEMTDNRNRGRNKARYCAEGGGPVLGRNKNELEGWGQGVYIR
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BDBM50095765 |
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n/a |
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Name | BDBM50095765 |
Synonyms: | 1-(2,3,4-trimethoxybenzyl)-4-(bis(4-fluorophenyl)methyl)piperazine | 1-[Bis-(4-fluoro-phenyl)-methyl]-4-(2,3,4-trimethoxy-benzyl)-piperazine(Lomerizine) | CHEMBL29188 | Lomerizine |
Type | Small organic molecule |
Emp. Form. | C27H30F2N2O3 |
Mol. Mass. | 468.5355 |
SMILES | COc1ccc(CN2CCN(CC2)C(c2ccc(F)cc2)c2ccc(F)cc2)c(OC)c1OC |
Structure |
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