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Mambalgin 1

CAT: 0804-HY-P1441Size: 1 EachDry Ice: NoHazardous: No
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Description
Mambalgin-1 is a toxin isolated from black mamba venom. Mambalgin-1 is a disulfide-rich polypeptide consisting of 57 amino acids and belongs to the family of three-finger toxins. Mambalgin-1 can bind to and stabilize ASICs (acid-sensing ion channels) in a physiologically relevant closed-channel conformation[1].
CAS Number
1609937-15-6
UNSPSC
12352209
Target
Sodium Channel
Type
Peptides
Related Pathways
Membrane Transporter/Ion Channel
Applications
Neuroscience-Neuromodulation
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/mambalgin-1.html
Solubility
10 mM in DMSO
Smiles
O=C(N[C@@H](CCCCN)C(N[C@@H](CSSC[C@@H](C(N[C@@H](CC1=CC=C(C=C1)O)C(N[C@@H](CC2=CNC=N2)C(N[C@@H](CC(N)=O)C(N[C@@H]([C@H](O)C)C(NCC(N[C@@H](CCSC)C(N3[C@@H](CCC3)C(N[C@@H](CC4=CC=CC=C4)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC(N)=O)C(N[C@@H](CC(C)C)C(N[C@@H](CCCCN)C(N[C@@H](CC(C)C)C(N[C@@H]([C@@H](C)CC)C(N[C@@H](CC(C)C)C(N[C@@H](CCC(N)=O)C(NC5)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)NC6=O)C(N[C@@H](CC7=CC=C(C=C7)O)C(N[C@@H](CCC(N)=O)C(N[C@@H](CC8=CNC=N8)C(NCC(N[C@@H](CCCCN)C(N[C@@H](C(C)C)C(N[C@@H](C(C)C)C(N[C@@H]([C@H](O)C)C(N[C@@H](CSSC[C@@H](C(N[C@@H](CO)C(N[C@@H](CO)C(N[C@@H](CO)C(N[C@@H](CSSC[C@@H](C(N[C@@H](CSSC[C@@H](C(N[C@@H](CC(N)=O)C(N[C@@H](CCCCN)C(O)=O)=O)=O)NC9=O)C(N[C@@H](CO)C(N[C@@H]([C@H](O)C)C(N[C@@H](CC(O)=O)C(N[C@H]9CCCNC(N)=N)=O)=O)=O)=O)=O)NC%10=O)C(N[C@@H](CO)C(N[C@@H](CCC(O)=O)C(N[C@@H]([C@H](O)C)C(N[C@@H](CCC(O)=O)C(N[C@@H](CC(N)=O)C(N[C@@H](CC(N)=O)C(N[C@H]%10CCCCN)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)NC5=O)C(N[C@@H](CC%11=CNC=N%11)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC(O)=O)C(N[C@@H](CCSC)C(N[C@@H](CCCCN)C(N[C@H]6CC%12=CC=CC=C%12)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)[C@H](CC(C)C)N
Molecular Formula
C272H429N85O84S10
Molecular Weight
6554.54
References & Citations
[1]Sun D, et al. Cryo-EM structure of the ASIC1a-mambalgin-1 complex reveals that the peptide toxin mambalgin-1 inhibits acid-sensing ion channels through an unusual allosteric effect. Cell Discov. 2018;4:27. Published 2018 Jun 5.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

Mambalgin 1
CAS Number1609937-15-6
PubChem CID121513904
IUPAC Name6-amino-2-[[4-amino-2-[[19-[[28-[[2-[[2-[[2-[[90-[[6-amino-2-[(2-amino-4-methylpentanoyl)amino]hexanoyl]amino]-40,75,99-tris(4-aminobutyl)-10,34-bis(2-amino-2-oxoethyl)-52,84-bis(3-amino-3-oxopropyl)-28,96-dibenzyl-46-butan-2-yl-8a,31-bis(3-carbamimidamidopropyl)-5a-(carboxymethyl)-13,66-bis(1-hydroxyethyl)-4,87-bis[(4-hydroxyphenyl)methyl]-7,11a,81-tris(1H-imidazol-4-ylmethyl)-37,43,49-tris(2-methylpropyl)-2a,19-bis(2-methylsulfanylethyl)-1a,2,4a,5,7a,8,10a,11,13a,14,17,20,26,29,32,35,38,41,44,47,50,53,56,65,68,71,74,77,80,83,86,89,95,98-tetratriacontaoxo-69,72-di(propan-2-yl)-60,61,92-trithia-a,3,3a,6,6a,9,9a,12,12a,15,18,21,27,30,33,36,39,42,45,48,51,54,57,64,67,70,73,76,79,82,85,88,94,97-tetratriacontazatricyclo[61.30.20.021,25]tridecahectane-58-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-7-(4-aminobutyl)-10,13-bis(2-amino-2-oxoethyl)-16,22-bis(2-carboxyethyl)-19-(1-hydroxyethyl)-25-(hydroxymethyl)-6,9,12,15,18,21,24,27-octaoxo-1,2-dithia-5,8,11,14,17,20,23,26-octazacyclononacosane-4-carbonyl]amino]-7-(3-carbamimidamidopropyl)-10-(carboxymethyl)-13-(1-hydroxyethyl)-16-(hydroxymethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-4-oxobutanoyl]amino]hexanoic acid
Molecular FormulaC272H429N85O84S9
Molecular Weight6522
XLogP-34
Topological Polar Surface Area3010
Hydrogen Bond Donor Count97
Hydrogen Bond Acceptor Count106
Rotatable Bond Count165
Heavy Atom Count450
Formal Charge0
Complexity16500
SMILES
CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(CSSCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)C(C)O)C(C)C)C(C)C)CCCCN)CC3=CNC=N3)CCC(=O)N)CC4=CC=C(C=C4)O)NC(=O)C(CCCCN)NC(=O)C(CC(C)C)N)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N5CCCC5C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC(C)C)CCCCN)CC(C)C)CC(=O)N)CCCNC(=N)N)CC6=CC=CC=C6)CCSC)C(C)O)CC(=O)N)CC7=CNC=N7)CC8=CC=C(C=C8)O)CC9=CC=CC=C9)CCCCN)CCSC)CC(=O)O)CCCNC(=N)N)CC1=CNC=N1)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC1CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CO)CCC(=O)O)C(C)O)CCC(=O)O)CC(=O)N)CC(=O)N)CCCCN)C(=O)NC1CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CO)C(C)O)CC(=O)O)CCCNC(=N)N)C(=O)NC(CC(=O)N)C(=O)NC(CCCCN)C(=O)O)CCC(=O)N)CC(C)C
InChI
InChI=1S/C272H429N85O84S9/c1-21-134(14)211-264(435)336-165(90-130(6)7)232(403)315-157(66-70-195(280)369)217(388)299-110-204(378)307-188(254(425)340-183(114-360)249(420)338-182(113-359)248(419)339-184(115-361)250(421)347-190-121-447-449-123-192(346-224(395)153(52-32-38-80-277)311-239(410)174(99-197(282)371)331-242(413)177(102-200(285)374)330-227(398)159(68-72-205(379)380)319-265(436)213(136(16)364)354-230(401)160(69-73-206(381)382)317-247(418)181(112-358)341-257(190)428)259(430)348-191-122-448-446-120-189(255(426)333-175(100-198(283)372)240(411)320-163(269(440)441)53-33-39-81-278)345-225(396)156(56-42-84-298-272(291)292)314-244(415)180(105-208(385)386)337-266(437)214(137(17)365)355-251(422)185(116-362)342-258(191)429)119-445-450-124-193-256(427)328-172(97-144-107-294-126-303-144)237(408)313-155(55-41-83-297-271(289)290)222(393)334-179(104-207(383)384)243(414)318-161(74-86-442-19)228(399)309-151(50-30-36-78-275)220(391)323-167(92-139-44-24-22-25-45-139)236(407)344-187(118-444-117-186(343-223(394)150(49-29-35-77-274)308-216(387)148(279)88-128(2)3)252(423)324-168(94-141-58-62-146(367)63-59-141)233(404)316-158(67-71-196(281)370)226(397)326-171(96-143-106-293-125-302-143)218(389)300-109-202(376)305-149(48-28-34-76-273)229(400)350-209(132(10)11)262(433)351-210(133(12)13)263(434)356-215(138(18)366)267(438)349-193)253(424)325-169(95-142-60-64-147(368)65-61-142)235(406)327-173(98-145-108-295-127-304-145)238(409)332-178(103-201(286)375)246(417)353-212(135(15)363)261(432)301-111-203(377)306-162(75-87-443-20)268(439)357-85-43-57-194(357)260(431)335-170(93-140-46-26-23-27-47-140)234(405)312-154(54-40-82-296-270(287)288)221(392)329-176(101-199(284)373)241(412)322-164(89-129(4)5)231(402)310-152(51-31-37-79-276)219(390)321-166(91-131(8)9)245(416)352-211/h22-27,44-47,58-65,106-108,125-138,148-194,209-215,358-368H,21,28-43,48-57,66-105,109-124,273-279H2,1-20H3,(H2,280,369)(H2,281,370)(H2,282,371)(H2,283,372)(H2,284,373)(H2,285,374)(H2,286,375)(H,293,302)(H,294,303)(H,295,304)(H,299,388)(H,300,389)(H,301,432)(H,305,376)(H,306,377)(H,307,378)(H,308,387)(H,309,399)(H,310,402)(H,311,410)(H,312,405)(H,313,408)(H,314,415)(H,315,403)(H,316,404)(H,317,418)(H,318,414)(H,319,436)(H,320,411)(H,321,390)(H,322,412)(H,323,391)(H,324,423)(H,325,424)(H,326,397)(H,327,406)(H,328,427)(H,329,392)(H,330,398)(H,331,413)(H,332,409)(H,333,426)(H,334,393)(H,335,431)(H,336,435)(H,337,437)(H,338,420)(H,339,419)(H,340,425)(H,341,428)(H,342,429)(H,343,394)(H,344,407)(H,345,396)(H,346,395)(H,347,421)(H,348,430)(H,349,438)(H,350,400)(H,351,433)(H,352,416)(H,353,417)(H,354,401)(H,355,422)(H,356,434)(H,379,380)(H,381,382)(H,383,384)(H,385,386)(H,440,441)(H4,287,288,296)(H4,289,290,297)(H4,291,292,298)
InChIKey
JRVGGBDTNREHFW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mambalgin 1
CAS: 1609937-15-6
CID: 121513904
Formula: C272H429N85O84S9
MW: 6522
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight6522
XLogP3-34
Hydrogen Bond Donor Count97
Hydrogen Bond Acceptor Count106
Rotatable Bond Count165
Exact Mass6519.9464073
Monoisotopic Mass6517.9396976
Topological Polar Surface Area3010 Ų
Heavy Atom Count450
Formal Charge0
Complexity16500
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count59
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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