PRD_001232

Alpha-conotoxin ImI mutant

PRD_001232 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 2MOA.

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Chemical Component Summary

NameAlpha-conotoxin ImI mutant
Identifiersn/a
FormulaC54 H84 N20 O15 S4
Molecular Weight1,381.63
TypePEPTIDE-LIKE
Isomeric SMILESC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H]3CSSC[C@H](C[C@@H](C(=O)N1)NC(=O)CN)SSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC3=O)C)Cc4c[nH]c5c4cccc5)CCCNC(=[NH2+])N)C(=O)N)CCCNC(=[NH2+])N)CC(=O)O)CO
InChIInChI=1S/C54H82N20O15S4/c1-25-43(80)69-33(16-27-20-63-30-9-4-3-8-29(27)30)48(85)67-31(10-5-13-61-53(57)58)45(82)72-37(42(56)79)23-92-93-28-17-34(66-40(76)19-55)47(84)64-26(2)44(81)71-36(21-75)49(86)70-35(18-41(77)78)52(89)74-15-7-12-39(74)51(88)68-32(11-6-14-62-54(59)60)46(83)73-38(50(87)65-25)24-91-90-22-28/h3-4,8-9,20,25-26,28,31-39,63,75H,5-7,10-19,21-24,55H2,1-2H3,(H2,56,79)(H,64,84)(H,65,87)(H,66,76)(H,67,85)(H,68,88)(H,69,80)(H,70,86)(H,71,81)(H,72,82)(H,73,83)(H,77,78)(H4,57,58,61)(H4,59,60,62)/p+2/t25-,26-,28-,31-,32-,33-,34-,35-,36-,37-,38-,39-/m0/s1
InChIKeyBADHHOJABMXBJC-MXSIBXQMSA-P
CompositionPolymer Sequences: GLY-81S-ALA-SER-ASP-PRO-ARG-CYS-ALA-TRP-ARG-CYS-NH2
BIRD classTOXIN
Represented AsPOLYMER
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count177
Chiral Atom Count12
Bond Count181
Aromatic Bond Count10