Reaction Details Report a problem with these data
Target
Voltage-dependent L-type calcium channel subunit alpha-1S
Ligand
BDBM50053877
Substrate
n/a
Meas. Tech.
ChEMBL_92776 (CHEMBL700076)
Ki
5±n/a nM
Citation
 Dhainaut, A; Regnier, G; Tizot, A; Pierre, A; Leonce, S; Guilbaud, N; Kraus-Berthier, L; Atassi, G New purines and purine analogs as modulators of multidrug resistance. J Med Chem 39:4099-108 (1996) [PubMed]  Article 
Target
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:
MEPSSPQDEGLRKKQPKKPVPEILPRPPRALFCLTLQNPLRKACISVVEWKPFETIILLTIFANCVALAVYLPMPEDDNNTLNLGLEKLEYFFLIVFSIEAAMKIIAYGFLFHQDAYLRSGWNVLDFIIVFLGVFTAILEQVNIIQTNTAPMSSKGAGLDVKALRAFRVLRPLRLVSGVPSLQVVLNSIFKAMLPLFHIALLVLFMVIIYAIIGLELFKGKMHKTCYFIGTDIVATVENEKPSPCARTGSGRPCTINGSECRGGWPGPNHGITHFDNFGFSMLTVYQCISMEGWTDVLYWVNDAIGNEWPWIYFVTLILLGSFFILNLVLGVLSGEFTKEREKAKSRGTFQKLREKQQLEEDLRGYMSWITQGEVMDVDDLREGKLSLDEGGSDTESLYEIEGLNKIIQFIRHWRQWNRVFRWKCHDLVKSKVFYWLVILIVALNTLSIASEHHNQPLWLTHLQDVANRVLLALFTIEMLMKMYGLGLRQYFMSIFNRFDCFVVCSGILEILLVESGAMTPLGISVLRCIRLLRLFKITKYWTSLSNLVASLLNSIRSIASLLLLLFLFMIIFALLGMQLFGGRYDFEDTEVRRSNFDNFPQALISVFQVLTGEDWNSVMYNGIMAYGGPSYPGVLVCIYFIILFVCGNYILLNVFLAIAVDNLAEAESLTSAQKAKAEERKRRKMSRGLPDKSEEERSTMTKKLEQKPKGEGIPTTAKLKIDEFESNVNEVKDPYPSADFPGDDEEDEPEIPASPRPRPLAELQLKEKAVPIPEASSFFIFSPTNKIRVLCHRIVNATWFTNFILLFILLSSAALAAEDPIRADSMRNQILEYFDYVFTAVFTVEIVLKMTTYGAFLHKGSFCRNYFNILDLLVVAVSLISMGLESSAISVVKILRVLRVLRPLRAINRAKGLKHVVQCVFVAIRTIGNIVLVTTLLQFMFACIGVQLFKGKFYSCNDLSKMTEEECRGYYYIYKDGDPTQIELRPRQWIHNDFHFDNVLSAMMSLFTVSTFEGWPQLLYKAIDSNEEDTGPVYNNRVEMAIFFIIYIILIAFFMMNIFVGFVIVTFQEQGETEYKNCELDKNQRQCVQYALKARPLRCYIPKNPYQYQVWYVVTSSYFEYLMFALIMLNTICLGMQHYNQSEQMNHISDILNVAFTIIFTLEMILKLIAFKPRGYFGDPWNVFDFLIVIGSIIDVILSEIDTLLASSGGLYCLGGGCGNVDPDESARISSAFFRLFRVMRLIKLLSRAEGVRTLLWTFIKSFQALPYVALLIVMLFFIYAVIGMQMFGKIAMVDGTQINRNNNFQTFPQAVLLLFRCATGEAWQEILLACSYGKRCDPESDYAPGEEYACGTNFAYYYFISFYMLCAFLIINLFVAVIMDNFDYLTRDWSILGPHHLDEFKAIWAEYDPEAKGRIKHLDVVTLLRRIQPPLGFGKFCPHRVACKRLVGMNMPLNSDGTVTFNATLFALVRTALKIKTEGNFEQANEELRAIIKKIWKRTSMKLLDQVIPPIGDDEVTVGKFYATFLIQEHFRKFMKRQEEYYGYRPKKDTVQIQAGLRTIEEEAAPEIHRAISGDLTAEEELERAMVEAAMEEGIFRRTGGLFGQVDNFLERTNSLPPVMANQRPLQFAEMEMEELESPVFLEDFPQNPGTHPLARANTNNANANVAYGNSSHRNSPVFSSIRYERELLEEAGRPVTREGPFSQPCSVSGVNSRSHVDKLERQMSQRRMPKGQVPPSPCQLSQEKHPVHEEGKGPRSWSTETSDSESFEERVPRNSAHKCTAPATTMLIQEALVRGGLDSLAADANFVMATGQALADACQMEPEEVEVAATELLKRESPKGGAMPREP
  
Inhibitor
Name:
BDBM50053877
Synonyms:
Allyl-(9-allyl-2-{4-[2,2-bis-(4-fluoro-phenyl)-ethylamino]-piperidin-1-yl}-9H-purin-6-yl)-amine | CHEMBL335742
Type:
Small organic molecule
Emp. Form.:
C30H33F2N7
Mol. Mass.:
529.6267
SMILES:
Fc1ccc(cc1)C(CNC1CCN(CC1)c1nc(NCC=C)c2ncn(CC=C)c2n1)c1ccc(F)cc1
Structure:
Search PDB for entries with ligand similarity: