Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0U5OB
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| Former ID |
DAP001355
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| Drug Name |
Charybdotoxin
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| Synonyms |
ChTX; CTX Toxin; Quinquestriatus Toxin; Charybdotoxin (reduced); Toxin, CTX; Toxin, Quinquestriatus
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| Drug Type |
Small molecular drug
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| Structure |
|
Download2D MOL |
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| Formula |
C176H277N57O55S7
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| Canonical SMILES |
CC(C)CC(C(=O)NC(CC1CNCN1)C(=O)NC(CC(=O)N)C(=O)NC(C(C)O)<br />C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CCCCN)C(=O<br />)NC(CS)C(=O)NC(CCSC)C(=O)NC(CC(=O)N)C(=O)NC(CCCCN)C(=O)<br />NC(CCCCN)C(=O)NC(CS)C(=O)NC(CCCNC(=N)N)C(=O)NC(CS)C(=O)<br />NC(CC2=CC=C(C=C2)O)C(=O)NC(CO)C(=O)O)NC(=O)C(CCCNC(=N)N<br />)NC(=O)C(CCC(=O)N)NC(=O)C(CS)NC(=O)C(C(C)C)NC(=O)C(CO)N<br />C(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CS)NC(=O)C(CCC(=O)O)N<br />C(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(C(C)O)NC(<br />=O)C(CS)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C(CC(=O)N)NC(=O)<br />C(C(C)O)NC(=O)C(CC5=CC=CC=C5)NC(=O)C(CCC(=O)O)N
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| InChI |
1S/C176H289N57O56S7/c1-81(2)58-106(149(264)213-110(62-91-67-192-80-198-91)152(267)215-112(64-127(184)246)156(271)231-135(85(8)240)170(285)219-114(69-234)157(272)200-96(36-25-54-193-174(186)187)139(254)197-68-129(248)199-97(32-17-21-50-177)140(255)222-120(75-291)162(277)208-105(49-57-296-11)148(263)214-111(63-126(183)245)153(268)203-98(33-18-22-51-178)141(256)201-100(35-20-24-53-180)144(259)223-119(74-290)161(276)205-102(38-27-56-195-176(190)191)145(260)224-121(76-292)164(279)211-107(60-89-39-41-92(243)42-40-89)150(265)221-118(73-238)173(288)289)210-143(258)101(37-26-55-194-175(188)189)202-146(261)103(44-46-125(182)244)207-163(278)123(78-294)227-168(283)133(83(5)6)229-160(275)117(72-237)217-151(266)109(61-90-66-196-95-31-16-15-30-93(90)95)212-165(280)122(77-293)225-147(262)104(45-48-131(251)252)206-142(257)99(34-19-23-52-179)204-158(273)115(70-235)220-171(286)136(86(9)241)233-172(287)137(87(10)242)232-166(281)124(79-295)226-159(274)116(71-236)218-167(282)132(82(3)4)228-155(270)113(65-128(185)247)216-169(284)134(84(7)239)230-154(269)108(59-88-28-13-12-14-29-88)209-138(253)94(181)43-47-130(249)250/h12-16,28-31,39-42,66,81-87,91,94,96-124,132-137,192,196,198,234-243,290-295H,17-27,32-38,43-65,67-80,177-181H2,1-11H3,(H2,182,244)(H2,183,245)(H2,184,246)(H2,185,247)(H,197,254)(H,199,248)(H,200,272)(H,201,256)(H,202,261)(H,203,268)(H,204,273)(H,205,276)(H,206,257)(H,207,278)(H,208,277)(H,209,253)(H,210,258)(H,211,279)(H,212,280)(H,213,264)(H,214,263)(H,215,267)(H,216,284)(H,217,266)(H,218,282)(H,219,285)(H,220,286)(H,221,265)(H,222,255)(H,223,259)(H,224,260)(H,225,262)(H,226,274)(H,227,283)(H,228,270)(H,229,275)(H,230,269)(H,231,271)(H,232,281)(H,233,287)(H,249,250)(H,251,252)(H,288,289)(H4,186,187,193)(H4,188,189,194)(H4,190,191,195)
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| InChIKey |
BPPXMZLBVMSRDL-UHFFFAOYSA-N
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| CAS Number |
CAS 95751-30-7
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| PubChem Compound ID | |||||
| PubChem Substance ID | |||||
| Target and Pathway | |||||
| Target(s) | Calcium-activated potassium channel | Target Info | Blocker | [536237] | |
| References | |||||
| Ref 536237 | Reversible inhibition of the platelet procoagulant response through manipulation of the Gardos channel. Blood. 2006 Oct 1;108(7):2223-8. Epub 2006 Jun 1. | ||||
| Ref 539474 | (http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2328). | ||||
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