Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetVoltage-dependent L-type calcium channel subunit alpha-1D
LigandBDBM50004704
Substrate/Competitorn/a
Meas. Tech.ChEMBL_92799 (CHEMBL703977)
IC50 46±n/a nM
Citation Corelli, FManetti, FTafi, ACampiani, GNacci, VBotta, M Diltiazem-like calcium entry blockers: a hypothesis of the receptor-binding site based on a comparative molecular field analysis model. J Med Chem40:125-31 (1997) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Voltage-dependent L-type calcium channel subunit alpha-1D
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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50004704
n/a
NameBDBM50004704
Synonyms:(+)-cis-Diltiazem | (2S,3S)-5-(2-(dimethylamino)ethyl)-2-(4-methoxyphenyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-3-yl acetate | 5-(2-dimethylamino-ethyl)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-yl ester(Diltiazem)Acetic acid | 8-Chloro-1-methyl-6-phenyl-4H-2,3,5,10b-tetraaza-benzo[e]azulene | Acetic acid (2S,3S)-5-(2-dimethylamino-ethyl)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-yl ester | Acetic acid (S)-5-(2-dimethylamino-ethyl)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-yl ester | Acetic acid 5-(2-dimethylamino-ethyl)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-yl ester | Acetic acid 5-(2-dimethylamino-ethyl)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-yl ester (diltiazem) | Acetic acid 5-(2-dimethylamino-ethyl)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-yl ester(cis-(+)-Diltiazem) | Acetic acid 5-(2-dimethylamino-ethyl)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-yl ester; hydrochloride | CHEMBL23 | Cardizem | DILTIAZEM | Dilt-CD | Diltzac | Teczem | Tiamate | Tiazac | cis-Acetic acid 5-(2-dimethylamino-ethyl)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-yl ester | diltiazem;Acetic acid 5-(2-dimethylamino-ethyl)-2-(4-methoxy-phenyl)-4-oxo-2,3,4,5-tetrahydro-benzo[b][1,4]thiazepin-3-yl ester
TypeSmall organic molecule
Emp. Form.C22H26N2O4S
Mol. Mass.414.518
SMILESCOc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: