α-conotoxin GI   

GtoPdb Ligand ID: 3983

Synonyms: G1
Comment: From Conus geographus (Geography cone)
2D Structure
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SMILES / InChI / InChIKey
Canonical SMILES OCC1NC(=O)C(Cc2cccc(c2)O)NC(=O)C(Cc2[nH]cnc2)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C2CSSCC(C(=O)NC(CSSCC(NC1=O)C(=O)N)C(=O)NC(CC(=O)N)C(=O)N1CCCC1C(=O)NC(C(=O)N2)C)NC(=O)C(CCC(=O)O)N
Isomeric SMILES OC[C@@H]1NC(=O)[C@H](Cc2cccc(c2)O)NC(=O)[C@H](Cc2[nH]cnc2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@@H](CSSC[C@H](NC1=O)C(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N2)C)NC(=O)[C@H](CCC(=O)O)N
InChI InChI=1S/C55H80N20O18S4/c1-25-44(83)72-36-21-95-97-22-37(73-45(84)29(56)9-10-42(80)81)52(91)74-38(51(90)69-33(16-40(57)78)54(93)75-12-4-8-39(75)53(92)65-25)23-96-94-20-35(43(58)82)71-50(89)34(19-76)70-48(87)31(14-26-5-2-6-28(77)13-26)67-49(88)32(15-27-17-61-24-64-27)68-47(86)30(7-3-11-62-55(59)60)66-41(79)18-63-46(36)85/h2,5-6,13,17,24-25,29-39,76-77H,3-4,7-12,14-16,18-23,56H2,1H3,(H2,57,78)(H2,58,82)(H,61,64)(H,63,85)(H,65,92)(H,66,79)(H,67,88)(H,68,86)(H,69,90)(H,70,87)(H,71,89)(H,72,83)(H,73,84)(H,74,91)(H,80,81)(H4,59,60,62)/t25-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-/m0/s1
InChI Key CSUQNJQRLCOOSR-NAKBKFBQSA-N
Selectivity at ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
nicotinic acetylcholine receptor α1 subunit Hs Antagonist Antagonist - - -