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α-conotoxin-MI

CAT: 0466-08CON012-01000Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0466-08CON012-01000Size:1 mg
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Description
α-conotoxin MI (alpha-conotoxin MI) is a conotoxin that has been isolated from the venom of the cone snail Conus magus. α-conotoxin MI is a competitive antagonist of the muscle-type nicotinic acetylcholine receptors (nAChR) such as α-conotoxin GI or d-Turbocurarine. It binds to the receptor with a Kd value ~0,94nM. α-conotoxin MI allows to distinguish between the two agonist sites as it binds 10,000-fold more tightly to the α/δ than to the α/γ site.
CAS Number
83481-45-2
Specifications
α/δ site of the muscle-type nAChR blocker
Target
Acetylcholine receptors
Sequence
GRCCHPACGKNYSC
Peptide Number
08CON012
Disulfide Bonds
Cys3-Cys8; Cys4-Cys14
N Terminal Sequence
H
C Terminal Sequence
NH2

Chemical Information

conotoxin MI

14-residue peptide toxin from marine snail Conus magus; amino acid sequence in first source

CAS Number83481-45-2
PubChem CID5486192
IUPAC Name(2S)-2-[[(2S)-6-amino-2-[[2-[[(2R)-2-[[(2S)-2-[[(2S)-1-[2-[[(2R)-2-[[(5S)-5-[(2-aminoacetyl)amino]-8-(diaminomethylideneamino)-4-oxo-2-(sulfanylmethyl)octanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-sulfanylpropanoyl]amino]acetyl]amino]hexanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanediamide
Molecular FormulaC59H93N21O17S4
Molecular Weight1496.8
XLogP-8.2
Topological Polar Surface Area633
Hydrogen Bond Donor Count24
Hydrogen Bond Acceptor Count25
Rotatable Bond Count46
Heavy Atom Count101
Formal Charge0
Complexity2880
SMILES
C[C@@H](C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N)NC(=O)[C@@H]2CCCN2C(=O)C(CC3=CN=CN3)NC(=O)[C@H](CS)NC(=O)C(CC(=O)[C@H](CCCN=C(N)N)NC(=O)CN)CS
InChI
InChI=1S/C59H93N21O17S4/c1-29(70-57(96)43-8-5-15-80(43)58(97)38(18-32-21-66-28-69-32)75-56(95)42(27-101)79-50(89)31(24-98)17-44(83)34(71-46(85)20-61)7-4-14-67-59(64)65)49(88)78-41(26-100)51(90)68-22-47(86)72-35(6-2-3-13-60)52(91)74-37(19-45(62)84)54(93)73-36(16-30-9-11-33(82)12-10-30)53(92)76-39(23-81)55(94)77-40(25-99)48(63)87/h9-12,21,28-29,31,34-43,81-82,98-101H,2-8,13-20,22-27,60-61H2,1H3,(H2,62,84)(H2,63,87)(H,66,69)(H,68,90)(H,70,96)(H,71,85)(H,72,86)(H,73,93)(H,74,91)(H,75,95)(H,76,92)(H,77,94)(H,78,88)(H,79,89)(H4,64,65,67)/t29-,31?,34-,35-,36-,37-,38?,39-,40-,41-,42-,43-/m0/s1
InChIKey
YXBQTKPMFURSAT-AZDLGQIMSA-N
Chemical Structure
2D Structure
2D structure of conotoxin MI
CAS: 83481-45-2
CID: 5486192
Formula: C59H93N21O17S4
MW: 1496.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1496.8
XLogP3-8.2
Hydrogen Bond Donor Count24
Hydrogen Bond Acceptor Count25
Rotatable Bond Count46
Exact Mass1495.59411528
Monoisotopic Mass1495.59411528
Topological Polar Surface Area633 Ų
Heavy Atom Count101
Formal Charge0
Complexity2880
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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4013838.1000Α-Conotoxin MI
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PCN-4140-VAlpha-Conotoxin MI
abx266682-01Alpha Conotoxin MI Peptide
063-03Conotoxin MI (Conus magus)
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