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Voltage-gated ion channels

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  1. (+)-isradipine, Gating inhibitor of Ca v1.1
    IUPAC Name:  O5-methyl O3-propan-2-yl (4S)-4-(2,1,3-benzoxadiazol-7-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
    SMILES:  COC(=O)C1=C(C)NC(=C([C@H]1c1cccc2c1non2)C(=O)OC(C)C)C
    InChIKey: HMJIYCCIJYRONP-INIZCTEOSA-N
    InChI:  InChI=1S/C19H21N3O5/c1-9(2)26-19(24)15-11(4)20-10(3)14(18(23)25-5)16(15)12-7-6-8-13-17(12)22-27-21-13/h6-9,16,20H,1-5H3/t16-/m0/s1
    Synonyms: (+)-isradipine | NCGC00016931-01 | O5-methyl O3-propan-2-yl (4S)-4-(2,1,3-benzoxadiazol-7-yl)-2,6-dimethyl-1,4-dihydr...
  2. (-)-(R)-efonidipine, Channel blocker of Ca v1.2;Channel blocker of Ca v3.1
    Cas Number: 128194-13-8        Compound CID:  9830707
    IUPAC Name:  2-(phenyl-(phenylmethyl)amino)ethyl (4R)-5-(5,5-dimethyl-2-oxo-1,3-dioxa-2$l^{5}-phosphacyclohex-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridshow more
    SMILES:  CC1=C(C(=O)OCCN(c2ccccc2)Cc2ccccc2)[C@H](C(=C(N1)C)P1(=O)OCC(CO1)(C)C)c1cccc(c1)[N+](=O)[O-]
    InChIKey: NSVFSAJIGAJDMR-WJOKGBTCSA-N
    InChI:  InChI=1S/C34H38N3O7P/c1-24-30(33(38)42-19-18-36(28-15-9-6-10-16-28)21-26-12-7-5-8-13-26)31(27-14-11-17-29(20-27)37(39)40)32(25(2)35-24)45(41)43-22-34(show more
    Synonyms: (-)-efonidipine | UNII-BF2E1WS195 | R(-)-Efonidipine | BF2E1WS195 | (-)-(R)-efonidipine | EFONIDIPINE, (R)- | (R)-efo...
  3. (-)-devapamil, Gating inhibitor of Ca v1.2
    IUPAC Name:  (2S)-2-(3,4-dimethoxyphenyl)-5-[2-(3-methoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile
    SMILES:  COc1cccc(c1)CCN(CCC[C@@](c1ccc(c(c1)OC)OC)(C(C)C)C#N)C
    InChIKey: VMVKIDPOEOLUFS-SANMLTNESA-N
    InChI:  InChI=1S/C26H36N2O3/c1-20(2)26(19-27,22-11-12-24(30-5)25(18-22)31-6)14-8-15-28(3)16-13-21-9-7-10-23(17-21)29-4/h7,9-12,17-18,20H,8,13-16H2,1-6H3/t26-/show more
    Synonyms: (-)-D 888 | (2S)-2-(3,4-dimethoxyphenyl)-5-[2-(3-methoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile | DEVAP...
  4. 3β-OH, Channel blocker of Ca v3.2;Channel blocker of Ca v3.3
    IUPAC Name:  (3S,5R,10S,13S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carbonitrile
    SMILES:  N#C[C@H]1CCC2[C@]1(C)CCC1C2CC[C@H]2[C@]1(C)CC[C@@H](C2)O
    InChIKey: DVTDUTYENPZLFP-FXEFULGUSA-N
    InChI:  InChI=1S/C20H31NO/c1-19-9-7-15(22)11-13(19)3-5-16-17-6-4-14(12-21)20(17,2)10-8-18(16)19/h13-18,22H,3-11H2,1-2H3/t13-,14-,15+,16?,17?,18?,19+,20-/m1/s1
    Synonyms: B260
  5. L-(cis)-diltiazem, Gating inhibitor of Ca v1.4;Channel blocker of CNGA1;Channel blocker of CNGA2;Channel blocker of CNGA3;Channel blocker of CNGB3
    IUPAC Name:  [(2R,3R)-5-(2-dimethylaminoethyl)-2-(4-methoxyphenyl)-4-oxo-2,3-dihydro-1,5-benzothiazepin-3-yl] acetate
    SMILES:  COc1ccc(cc1)[C@H]1Sc2ccccc2N(C(=O)[C@H]1OC(=O)C)CCN(C)C
    InChIKey: HSUGRBWQSSZJOP-LEWJYISDSA-N
    InChI:  InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m0/s1
    Synonyms: GTPL2349 | CHEBI:82813 | Q27079274 | SCHEMBL676914 | (2R,3R)-5-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-4-oxo-2,3...
  6. SZ(+)-(S)-202-791, Activator of Ca v1.1;Activator of Ca v1.2
    Cas Number: 97217-83-9        Compound CID:  5026
    IUPAC Name:  propan-2-yl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate
    SMILES:  CC(OC(=O)C1=C(C)NC(=C(C1c1cccc2c1non2)[N+](=O)[O-])C)C
    InChIKey: LYFZEFDZKPJBJK-UHFFFAOYSA-N
    InChI:  InChI=1S/C17H18N4O5/c1-8(2)25-17(22)13-9(3)18-10(4)16(21(23)24)14(13)11-6-5-7-12-15(11)20-26-19-12/h5-8,14,18H,1-4H3
  7. azidopine, Gating inhibitor of Ca v1.3
    Cas Number: 90523-31-2        Compound CID:  656406
    IUPAC Name:  O3-[2-[(4-azidobenzoyl)amino]ethyl] O5-ethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
    SMILES:  CCOC(=O)C1=C(C)NC(=C(C1c1ccccc1C(F)(F)F)C(=O)OCCNC(=O)c1ccc(cc1)N=[N+]=[N-])C
    InChIKey: SWMHKFTXBOJETC-UHFFFAOYSA-N
    InChI:  InChI=1S/C27H26F3N5O5/c1-4-39-25(37)21-15(2)33-16(3)22(23(21)19-7-5-6-8-20(19)27(28,29)30)26(38)40-14-13-32-24(36)17-9-11-18(12-10-17)34-35-31/h5-12,2show more
    Synonyms: O3-[2-[(4-azidobenzoyl)amino]ethyl] O5-ethyl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicar...
  8. PnTx-3-6, Channel blocker of Ca v2.1;Channel blocker of Ca v2.3
    Cas Number: 146836-63-7        Compound CID:  132427639
    SMILES:  CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CN=CN2)Cshow more
    Synonyms: ω-CNTX-Pn4a;ω-ctenitoxin-Pn4a;Neurotoxin Tx3-6;PhAlpha-1-beta;PhAlpha-1-beta toxin
  9. ML218, Channel blocker of Ca v3.1;Channel blocker of Ca v3.2;Channel blocker of Ca v3.3
    IUPAC Name:  3,5-dichloro-N-[[(1R,5S)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]benzamide
    SMILES:  O=C(c1cc(Cl)cc(c1)Cl)NC[C@@H]1[C@@H]2[C@H]1CN(C2)CCC(C)(C)C
    InChIKey: GSJIGYLGKSBYBC-OSYLJGHBSA-N
    InChI:  InChI=1S/C19H26Cl2N2O/c1-19(2,3)4-5-23-10-16-15(17(16)11-23)9-22-18(24)12-6-13(20)8-14(21)7-12/h6-8,15-17H,4-5,9-11H2,1-3H3,(H,22,24)/t15-,16-,17+
    Synonyms: A)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hex-6-yl]methyl]-benzamide | A,6-exo,6 | HMS3749A17 | Q27087022 | 1346233...
  10. TTA-A2, Channel blocker of Ca v3.1;Channel blocker of Ca v3.2;Channel blocker of Ca v3.3
    IUPAC Name:  2-(4-cyclopropylphenyl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]ethyl]acetamide
    SMILES:  O=C(N[C@@H](c1ccc(cn1)OCC(F)(F)F)C)Cc1ccc(cc1)C1CC1
    InChIKey: GEYDMBNDOVPFJL-CYBMUJFWSA-N
    InChI:  InChI=1S/C20H21F3N2O2/c1-13(18-9-8-17(11-24-18)27-12-20(21,22)23)25-19(26)10-14-2-4-15(5-3-14)16-6-7-16/h2-5,8-9,11,13,16H,6-7,10,12H2,1H3,(H,25,26)/tshow more
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