Peptide Information
General Information of This Peptide
| Peptide ID |
PEP00001
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| Peptide Name |
pHLIP (AEQ)
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| Structure |
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| Sequence |
AEQNPIYWARYADWLFTTPLLLLDLALLVDADEGTCG
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| Peptide Type |
Linear
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| Receptor Name |
DNA topoisomerase 2-alpha (TOP2A)
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Receptor Info | ||||
| PDC Transmembrane Types | Cell-penetrating peptides (CPPs) | |||||
| Distribution |
Acidity is produced not only by cancerous tissue, but also by any tissue that is experiencing hypoxia: the lack of oxygen in the tissue triggers cells to switch to a high rate of the anaerobic, glycolytic energy production pathway, consequently resulting in acidification. pHLIPs have been shown to target infections in lungs, inflammatory arthritis, and ischemic myocardium, a consequence of heart disease, and could be used for diagnosis and treatment thereof. It is also possible that pHLIPs could be used as targeted treatment in ischemic strokes. In contrast to diseased tissue, healthy tissue is typically not associated with increased acidity except in the gastrointestinal tract and kidney, the pHs of which might be regulated by the implementation of a special diet or supplementary drinks if their acidity proves problematic.
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| Formula |
C193H288N44O57S
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| Isosmiles |
[H]NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N[H])C(=O)N[C@@H](CC(=O)N[H])C(=O)N1CCC[C@H]1C(=O)N[C@]([H])(C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@@H](Cc1cn([H])c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC/N=C(/N)N[H])C(=O)N[C@@H](Cc1ccc(O[H])cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cn([H])c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@]([H])(C(=O)N[C@]([H])(C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@]([H])(C(=O)N[C@@H](CS[H])C(=O)NCC(=O)O)[C@@H](C)O[H])C(C)C)[C@@H](C)O[H])[C@@H](C)O[H])[C@@H](C)CC
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| InChI |
InChI=1S/C193H288N44O57S/c1-29-98(20)154(233-186(288)142-48-38-64-236(142)191(293)139(79-144(196)244)229-167(269)120(57-60-143(195)243)211-166(268)121(59-62-147(248)249)208-158(260)99(21)194)188(290)227-131(76-109-51-55-113(242)56-52-109)178(280)223-133(77-110-84-200-116-44-35-33-42-114(110)116)170(272)206-100(22)159(261)209-118(46-37-63-199-193(197)198)165(267)221-130(75-108-49-53-112(241)54-50-108)169(271)205-102(24)161(263)214-137(82-150(254)255)181(283)224-134(78-111-85-201-117-45-36-34-43-115(111)117)179(281)219-126(70-93(10)11)175(277)222-132(74-107-40-31-30-32-41-107)184(286)234-156(105(27)239)190(292)235-157(106(28)240)192(294)237-65-39-47-141(237)185(287)226-128(72-95(14)15)177(279)218-125(69-92(8)9)174(276)216-124(68-91(6)7)173(275)217-127(71-94(12)13)176(278)225-138(83-151(256)257)182(284)215-122(66-89(2)3)168(270)204-101(23)160(262)212-123(67-90(4)5)172(274)220-129(73-96(16)17)183(285)232-153(97(18)19)187(289)228-135(80-148(250)251)171(273)207-103(25)162(264)213-136(81-149(252)253)180(282)210-119(58-61-146(246)247)163(265)202-86-145(245)231-155(104(26)238)189(291)230-140(88-295)164(266)203-87-152(258)259/h30-36,40-45,49-56,84-85,89-106,118-142,153-157,200-201,238-242,295H,29,37-39,46-48,57-83,86-88,194H2,1-28H3,(H2,195,243)(H2,196,244)(H,202,265)(H,203,266)(H,204,270)(H,205,271)(H,206,272)(H,207,273)(H,208,260)(H,209,261)(H,210,282)(H,211,268)(H,212,262)(H,213,264)(H,214,263)(H,215,284)(H,216,276)(H,217,275)(H,218,279)(H,219,281)(H,220,274)(H,221,267)(H,222,277)(H,223,280)(H,224,283)(H,225,278)(H,226,287)(H,227,290)(H,228,289)(H,229,269)(H,230,291)(H,231,245)(H,232,285)(H,233,288)(H,234,286)(H,235,292)(H,246,247)(H,248,249)(H,250,251)(H,252,253)(H,254,255)(H,256,257)(H,258,259)(H4,197,198,199)/t98-,99-,100-,101-,102-,103-,104+,105+,106+,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,153-,154-,155-,156-,157-/m0/s1
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| InChIKey |
VADMUKINEZPHSY-FQYSWTFHSA-N
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| Pharmaceutical Properties |
Molecule Weight
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4168.745
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Polar area
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1600.45
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Complexity
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4166.07107
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xlogp Value
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-9.2209
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Heavy Count
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295
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Rot Bonds
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134
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Hbond acc
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53
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Hbond Donor
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54
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Each Peptide-drug Conjugate Related to This Peptide
Full Information of The Activity Data of The PDC(s) Related to This Peptide
pHLIP-SS-DOX [Investigative]
Revealed Based on the Cell Line Data
| Experiment 1 Reporting the Activity Data of This PDC | [1] | ||||
| Indication | Breast cancer | ||||
| Efficacy Data | Half Maximal Inhibitory Concentration (IC50) | > 400 µM | |||
| In Vitro Model | Invasive breast carcinoma | MCF-7 cell | CVCL_0031 | ||
References