ω-conotoxin MVIIA   Click here for help

GtoPdb Ligand ID: 2536

Synonyms: Prialt | SNX-111 | ziconotide
Comment: ω-conotoxin was identified and extracted from the venom of Conus magus (Magus cone or Magician's cone snail). A synthetic form of the peptide is now an approved drug, ziconotide. Ziconotide is represented on ChEMBL by the entry CHEMBL2103752.
Click here for help
2D Structure
Click here for help
Click here for structure editor
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES NCCCCC1NC(=O)C(C)NC(=O)CNC(=O)C(CCCCN)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(N)CSSCC2C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC3CSSCC(NC1=O)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)NC(Cc1ccc(cc1)O)C(=O)NC(CC(=O)O)C(=O)NC(C(=O)N2)CSSCC(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC3=O)CCCNC(=N)N)CO)CCCCN)C(=O)N)CO)C(O)C
Isomeric SMILES NCCCC[C@@H]1NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H]3CSSC[C@H](NC1=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N2)CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC3=O)CCCNC(=N)N)CO)CCCCN)C(=O)N)CO)[C@H](O)C
InChI InChI=1S/C102H172N36O32S7/c1-50(2)34-63-91(161)127-62(26-33-171-5)90(160)129-64(35-53-22-24-54(143)25-23-53)92(162)130-65(36-78(148)149)93(163)135-72-48-175-173-45-69(80(108)150)133-86(156)58(18-8-12-29-105)121-76(146)39-117-85(155)66(41-139)131-88(158)61(21-15-32-114-102(111)112)126-96(166)70-46-176-177-47-71(97(167)132-68(43-141)95(165)125-60(87(157)128-63)20-14-31-113-101(109)110)134-89(159)59(19-9-13-30-106)123-81(151)51(3)119-74(144)37-115-83(153)56(16-6-10-27-103)120-75(145)38-116-84(154)57(17-7-11-28-104)124-82(152)55(107)44-172-174-49-73(137-98(72)168)99(169)138-79(52(4)142)100(170)118-40-77(147)122-67(42-140)94(164)136-70/h22-25,50-52,55-73,79,139-143H,6-21,26-49,103-107H2,1-5H3,(H2,108,150)(H,115,153)(H,116,154)(H,117,155)(H,118,170)(H,119,144)(H,120,145)(H,121,146)(H,122,147)(H,123,151)(H,124,152)(H,125,165)(H,126,166)(H,127,161)(H,128,157)(H,129,160)(H,130,162)(H,131,158)(H,132,167)(H,133,156)(H,134,159)(H,135,163)(H,136,164)(H,137,168)(H,138,169)(H,148,149)(H4,109,110,113)(H4,111,112,114)/t51-,52+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,79-/m0/s1
InChI Key BPKIMPVREBSLAJ-QTBYCLKRSA-N
Classification Click here for help
Compound class Peptide or derivative
International Nonproprietary Names Click here for help
INN number INN
7694 ziconotide
Synonyms Click here for help
Prialt | SNX-111 | ziconotide
Database Links Click here for help
CAS Registry No. 1283221-32-8 (source: Scifinder)
DrugCentral Ligand 2878
GtoPdb PubChem SID 135652369
PubChem CID 16135415
Search Google for chemical match using the InChIKey BPKIMPVREBSLAJ-QTBYCLKRSA-N
Search Google for chemicals with the same backbone BPKIMPVREBSLAJ
Search PubMed clinical trials ziconotide
Search PubMed titles ziconotide
Search PubMed titles/abstracts ziconotide
Search UniChem for chemical match using the InChIKey BPKIMPVREBSLAJ-QTBYCLKRSA-N
Search UniChem for chemicals with the same backbone BPKIMPVREBSLAJ
UniProtKB P05484 (Cm)
Wikipedia Ziconotide