Reaction Details |
| Report a problem with these data |
Target | Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S |
---|
Ligand | BDBM50453799 |
---|
Substrate/Competitor | n/a |
---|
Meas. Tech. | ChEMBL_92779 (CHEMBL700079) |
---|
Ki | 4.6±n/a nM |
---|
Citation | Wermuth, CG Selective optimization of side activities: another way for drug discovery. J Med Chem47:1303-14 (2004) [PubMed] Article |
---|
More Info.: | Get all data from this article, Assay Method |
---|
|
Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S |
---|
Name: | Voltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S |
Synonyms: | Voltage-gated L-type calcium channel |
Type: | n/a |
Mol. Mass.: | n/a |
Description: | ASSAY_ID of ChEMBL is 92765 |
Components: | This complex has 3 components. |
Component 1 |
Name: | Voltage-dependent L-type calcium channel subunit alpha-1D |
Synonyms: | CAC1D_RAT | Cach3 | Cacn4 | Cacna1d | Cacnl1a2 | Calcium channel, L type, alpha-1 polypeptide, isoform 2 | Cav1.3/Cav beta3/Cav alpha2delta complex | Cchl1a2 | RBD | Rat brain class D | Voltage-dependent L-type calcium channel subunit alpha-1D | Voltage-gated L-type calcium channel alpha-1D subunit | Voltage-gated calcium channel subunit alpha Cav1.3 |
Type: | PROTEIN |
Mol. Mass.: | 250148.41 |
Organism: | Rattus norvegicus |
Description: | ChEMBL_44709 |
Residue: | 2203 |
Sequence: | MMMMMMMKKMQHQRQQQEDHANEANYARGTRLPISGEGPTSQPNSSKQTVLSWQAAIDAA
RQAKAAQTMSTSAPPPVGSLSQRKRQQYAKSKKQGNSSNSRPARALFCLSLNNPIRRACI
SIVDWKPFDIFILLAIFANCVALAIYIPFPEDDSNSTNHNLEKVEYAFLIIFTVETFLKI
IASGLLLHPNASVRNGWNLLDFVIVIVGLFSVILEQLTKETEGGNHSSGKSGGFDVKALR
AFRVLRPLRLVSGVPSLQVVLNSIIKAMVPLLHIALLVLFVIIIYAIIGLELFIGKMHKT
CFFADSDIVAEEDPAPCAFSGNGRQCAANGTECRSGWVGPNGGITNFDNFAFAMLTVFQC
ITMEGWTDVLYWVNDAIGWEWPWVYFVSLIILGSFFVLNLVLGVLSGEFSKEREKAKARG
DFQKLREKQQLEEDLKGYLDWITQAEDIDPENEEEGGEEGKRNTSMPTSETESVNTENVS
GEGETQGCCGSLWCWWKRRGAAKTGPSGCRRWGQAISKSKLRSHGAREALCVCRCSLESL
VKLWTSRFSAHLQAAYVRPYSRRWRRWNRFNRRRCRAAVKSVTFYWLVIVLVFLNTLTIS
SEHYNQPDWLTQIQDIANKVLLALFTCEMLVKMYSLGLQAYFVSLFNRFDCFVVCGGITE
TILVELELMSPLGVSVFRCVRLLRIFKVTRHWTSLSNLVASLLNSMKSIASLLLLLFLFI
IIFSLLGMQLFGGKFNFDETQTKRSTFDNFPQALLTVFQILTGEDWNAVMYDGIMAYGGP
SSSGMIVCIYFIILFICGNYILLKLFLAIAVDNLADAESLNTAQKEEAEEKERKKIARKE
SLENKKNNKPEVNQIANSDNKVTIDDYQEEAEDKDPYPPCDVPVGEEEEEEEEDEPEVPA
GPRPRRISELNMKEKIAPIPEGSAFFILSKTNPIRVGCHKLINHHIFTNLILVFIMLSSA
ALAAEDPIRSHSFRNTILGYFDYAFTAIFTVEILLKMTTFGAFLHKGAFCRNYFNLLDML
VVGVSLVSFGIQSSAISVVKILRVLRVLRPLRAINRAKGLKHVVQCVFVAIRTIGNIMIV
TTLLQFMFACIGVQLFKGKFYRCTDEAKSNPEECRGLFILYKDGDVDSPVVRERIWQNSD
FNFDNVLSAMMALFTVSTFEGWPALLYKAIDSNGENVGPVYNYRVEISIFFIIYIIIVAF
FMMNIFVGFVIVTFQEQGEKEYKNCELDKNQRQCVEYALKARPLRRYIPKNPYQYKFWYV
VNSSPFEYMMFVLIMLNTLCLAMQHYEQSKMFNDAMDILNMVFTGVFTVEMVLKVIAFKP
KGYFSDAWNTFDSLIVIGSIIDVALSEADNSEESNRISITFFRLFRVMRLVKLLSRGEGI
RTLLWTFIKSFQALPYVALLIAMLFFIYAVIGMQMFGKVAMRDNNQINRNNNFQTFPQAV
LLLFRCATGEAWQEIMLACLPGKLCDPDSDYNPGEEYTCGSNFAIVYFISFYMLCAFLII
NLFVAVIMDNFDYLTRDWSILGPHHLDEFKRIWSEYDPEAKGRIKHLDVVTLLRRIQPPL
GFGKLCPHRVACKRLVAMNMPLNSDGTVMFNATLFALVRTALKIKTEGNLEQANEELRAV
IKKIWKKTSMKLLDQVVPPAGDDEVTVGKFYATFLIQDYFRKFKKRKEQGLVGKYPAKNT
TIALQAGLRTLHDIGPEIRRAISCDLQDDEPEDSKPEEEDVFKRNGALLGNYVNHVNSDR
RESLQQTNTTHRPLHVQRPSIPPASDTEKPLFPPAGNSVCHNHHNHNSIGKQVPTSTNAN
LNNANMSKAAHGKRPSIGDLEHVSENGHYSYKHDRELQRRSSIKRTRYYETYIRSESGDE
QLPTIFREDPEIHGYFRDPRCFGEQEYFSSEECCEDDSSPTWSRQNYSYYNRYPGSSMDF
ERPRGYHHPQGFLEDDDSPIGYDSRRSPRRRLLPPTPPSHRRSSFNFECLRRQNSQDDVL
PSPALPHRAALPLHLMQQQIMAVAGLDSSKAQKYSPSHSTRSWATPPATPPYRDWTPCYT
PLIQVDRSESMDQVNGSLPSLHRSSWYTDEPDISYRTFTPASLTVPSSFRNKNSDKQRSA
DSLVEAVLISEGLGRYARDPKFVSATKHEIADACDLTIDEMESAASTLLNGSVCPRANGD
MGPISHRQDYELQDFGPGYSDEEPDPGREEEDLADEMICITTL
|
|
|
Component 2 |
Name: | Voltage-dependent L-type calcium channel subunit alpha-1C |
Synonyms: | CAC1C_RAT | Cach2 | Cacn2 | Cacna1c | Cacnl1a1 | Calcium channel | Calcium channel (Type L) | Calcium channel diltiazem | Calcium channel, L type, alpha-1 polypeptide, isoform 1, cardiac muscle | Cchl1a1 | RBC | Rat brain class C | Voltage-dependent L-type calcium channel subunit alpha-1C | Voltage-gated L-type calcium channel | Voltage-gated L-type calcium channel alpha-1C subunit | Voltage-gated calcium channel subunit alpha Cav1.2 |
Type: | Enzyme Catalytic Domain |
Mol. Mass.: | 243492.26 |
Organism: | RAT |
Description: | Calcium channel 0 RAT::P22002 |
Residue: | 2169 |
Sequence: | MIRAFAQPSTPPYQPLSSCLSEDTERKFKGKVVHEAQLNCFYISPGGSNYGSPRPAHANM
NANAAAGLAPEHIPTPGAALSWLAAIDAARQAKLMGSAGNATISTVSSTQRKRQQYGKPK
KQGGTTATRPPRALLCLTLKNPIRRACISIVEWKPFEIIILLTIFANCVALAIYIPFPED
DSNATNSNLERVEYLFLIIFTVEAFLKVIAYGLLFHPNAYLRNGWNLLDFIIVVVGLFSA
ILEQATKADGANALGGKGAGFDVKALRAFRVLRPLRLVSGVPSLQVVLNSIIKAMVPLLH
IALLVLFVIIIYAIIGLELFMGKMHKTCYNQEGIIDVPAEEDPSPCALETGHGRQCQNGT
VCKPGWDGPKHGITNFDNFAFAMLTVFQCITMEGWTDVLYWMQDAMGYELPWVYFVSLVI
FGSFFVLNLVLGVLSGEFSKEREKAKARGDFQKLREKQQLEEDLKGYLDWITQAEDIDPE
NEDEGMDEDKPRNMSMPTSETESVNTENVAGGDIEGENCGARLAHRISKSKFSRYWRRWN
RFCRRKCRAAVKSNVFYWLVIFLVFLNTLTIASEHYNQPHWLTEVQDTANKALLALFTAE
MLLKMYSLGLQAYFVSLFNRFDCFIVCGGILETILVETKIMSPLGISCWRCVRLLRIFKI
TRYWNSLSNLVASLLNSLRSIASLLLLLFLFIIIFSLLGMQLFGGKFNFDEMQTRRSTFD
NFPQSLLTVFQILTGEDWNSVMYDGIMAYGGPSFPGMLVCIYFIILFISPNYILLNLFLA
IAVDNLADAESLTSAQKEEEEEKERKKLARTASPEKKQEVMEKPAVEESKEEKIELKSIT
ADGESPPTTKINMDDLQPSENEDKSPHSNPDTAGEEDEEEPEMPVGPRPRPLSELHLKEK
AVPMPEASAFFIFSPNNRFRLQCHRIVNDTIFTNLILFFILLSSISLAAEDPVQHTSFRN
HILFYFDIVFTTIFTIEIALKMTAYGAFLHKGSFCRNYFNILDLLVVSVSLISFGIQSSA
INVVKILRVLRVLRPLRINRAKGLKHVVQCVFVAIRTIGNIVIVTTLLQFMFACIGVQLF
KGKLYTCSDSSKQTEAESKGNYITYKTGEVDHPIIQPRSWENSKFDFDNVLAAMMALFTV
STFEGWPELLYRSIDSHTEDKGPIYNYRVEISIFFIIYIIIIAFFMMNIFVGFVIVTFQE
QGEQEYKNCELDKNQRQCVEYALKARPLPRYIPKNQHQYKVWYVVNSTYFEYLMFVLILL
NTICLAMQHYGQSCLFKIAMNILNMLFTGLFTVEMILKLIAFKPKHYFCDAWNTFDALIV
VGSIVDIAITEVHPAEHTQCSPSMSAEENSRISITFFRLFRVMRLVKLLSRGEGIRTLLW
TFIKSFQALPYVALLIVMLFFIYAVIGMQVFGKIALNDTTEINRNNNFQTFPQAVLLLFR
CATGEAWQDIMLACMPGKKCAPESEPSNSTEGETPCGSSFAVFYFISFYMLCAFLIINLF
VAVIMDNFDYLTRDWSILGPHHLDEFKRIWAEYDPEAKGRIKHLDVVTLLRRIQPPLGFG
KLCPHRVACKRLVSMNMPLNSDGTVMFNATLFALVRTALRIKTEGNLEQANEELRAIIKK
IWKRTSMKLLDQVVPPAGDDEVTVGKFYATFLIQEYFRKFKKRKEQGLVGKPSQRNALSL
QAGLRTLHDIGPEIRRAISGDLTAEEELDKAMKEAVSAASEDDIFRRAGGLFGNHVSYYQ
SDSRSNFPQTFATQRPLHINKTGNNQADTESPSHEKLVDSTFTPSSYSSTGSNANINNAN
NTALGRFPHPAGYSSTVSTVEGHGPPLSPAVRVQEAAWKLSSKRCHSRESQGATVSQDMF
PDETRSSVRLSEEVEYCSEPSLLSTDILSYQDDENRQLTCLEEDKREIQPCPKRSFLRSA
SLGRRASFHLECLKRQKDQGGDISQKTALPLHLVHHQALAVAGLSPLLQRSHSPSTFPRP
RPTPPVTPGSRGRPLQPIPTLRLEGAESSEKLNSSFPSIHCSSWSEETTACSGGSSMARR
ARPVSLTVPSQAGAPGRQFHGSASSLVEAVLISEGLGQFAQDPKFIEVTTQELADACDMT
IEEMENAADNILSGGAQQSPNGTLLPFVNCRDPGQDRAVVPEDESCVYALGRGRSEEALP
DSRSYVSNL
|
|
|
Component 3 |
Name: | Voltage-dependent L-type calcium channel subunit alpha-1S |
Synonyms: | CAC1S_RAT | Cach1 | Cacn1 | Cacna1s | Cacnl1a3 | Calcium channel, L type, alpha-1 polypeptide, isoform 3, skeletal muscle | Cchl1a3 | ROB1 | Voltage-gated L-type calcium channel | Voltage-gated L-type calcium channel alpha-1S subunit | Voltage-gated calcium channel subunit alpha Cav1.1 |
Type: | PROTEIN |
Mol. Mass.: | 210392.58 |
Organism: | Rattus norvegicus |
Description: | ChEMBL_92777 |
Residue: | 1850 |
Sequence: | MEPSSPQDEGLRKKQPKKPVPEILPRPPRALFCLTLQNPLRKACISVVEWKPFETIILLT
IFANCVALAVYLPMPEDDNNTLNLGLEKLEYFFLIVFSIEAAMKIIAYGFLFHQDAYLRS
GWNVLDFIIVFLGVFTAILEQVNIIQTNTAPMSSKGAGLDVKALRAFRVLRPLRLVSGVP
SLQVVLNSIFKAMLPLFHIALLVLFMVIIYAIIGLELFKGKMHKTCYFIGTDIVATVENE
KPSPCARTGSGRPCTINGSECRGGWPGPNHGITHFDNFGFSMLTVYQCISMEGWTDVLYW
VNDAIGNEWPWIYFVTLILLGSFFILNLVLGVLSGEFTKEREKAKSRGTFQKLREKQQLE
EDLRGYMSWITQGEVMDVDDLREGKLSLDEGGSDTESLYEIEGLNKIIQFIRHWRQWNRV
FRWKCHDLVKSKVFYWLVILIVALNTLSIASEHHNQPLWLTHLQDVANRVLLALFTIEML
MKMYGLGLRQYFMSIFNRFDCFVVCSGILEILLVESGAMTPLGISVLRCIRLLRLFKITK
YWTSLSNLVASLLNSIRSIASLLLLLFLFMIIFALLGMQLFGGRYDFEDTEVRRSNFDNF
PQALISVFQVLTGEDWNSVMYNGIMAYGGPSYPGVLVCIYFIILFVCGNYILLNVFLAIA
VDNLAEAESLTSAQKAKAEERKRRKMSRGLPDKSEEERSTMTKKLEQKPKGEGIPTTAKL
KIDEFESNVNEVKDPYPSADFPGDDEEDEPEIPASPRPRPLAELQLKEKAVPIPEASSFF
IFSPTNKIRVLCHRIVNATWFTNFILLFILLSSAALAAEDPIRADSMRNQILEYFDYVFT
AVFTVEIVLKMTTYGAFLHKGSFCRNYFNILDLLVVAVSLISMGLESSAISVVKILRVLR
VLRPLRAINRAKGLKHVVQCVFVAIRTIGNIVLVTTLLQFMFACIGVQLFKGKFYSCNDL
SKMTEEECRGYYYIYKDGDPTQIELRPRQWIHNDFHFDNVLSAMMSLFTVSTFEGWPQLL
YKAIDSNEEDTGPVYNNRVEMAIFFIIYIILIAFFMMNIFVGFVIVTFQEQGETEYKNCE
LDKNQRQCVQYALKARPLRCYIPKNPYQYQVWYVVTSSYFEYLMFALIMLNTICLGMQHY
NQSEQMNHISDILNVAFTIIFTLEMILKLIAFKPRGYFGDPWNVFDFLIVIGSIIDVILS
EIDTLLASSGGLYCLGGGCGNVDPDESARISSAFFRLFRVMRLIKLLSRAEGVRTLLWTF
IKSFQALPYVALLIVMLFFIYAVIGMQMFGKIAMVDGTQINRNNNFQTFPQAVLLLFRCA
TGEAWQEILLACSYGKRCDPESDYAPGEEYACGTNFAYYYFISFYMLCAFLIINLFVAVI
MDNFDYLTRDWSILGPHHLDEFKAIWAEYDPEAKGRIKHLDVVTLLRRIQPPLGFGKFCP
HRVACKRLVGMNMPLNSDGTVTFNATLFALVRTALKIKTEGNFEQANEELRAIIKKIWKR
TSMKLLDQVIPPIGDDEVTVGKFYATFLIQEHFRKFMKRQEEYYGYRPKKDTVQIQAGLR
TIEEEAAPEIHRAISGDLTAEEELERAMVEAAMEEGIFRRTGGLFGQVDNFLERTNSLPP
VMANQRPLQFAEMEMEELESPVFLEDFPQNPGTHPLARANTNNANANVAYGNSSHRNSPV
FSSIRYERELLEEAGRPVTREGPFSQPCSVSGVNSRSHVDKLERQMSQRRMPKGQVPPSP
CQLSQEKHPVHEEGKGPRSWSTETSDSESFEERVPRNSAHKCTAPATTMLIQEALVRGGL
DSLAADANFVMATGQALADACQMEPEEVEVAATELLKRESPKGGAMPREP
|
|
|
BDBM50453799 |
---|
n/a |
---|
Name | BDBM50453799 |
Synonyms: | Niguldipine |
Type | Small organic molecule |
Emp. Form. | C36H39N3O6 |
Mol. Mass. | 609.7114 |
SMILES | COC(=O)C1=C(C)NC(C)=C([C@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |r,c:4,9| |
Structure |
|