Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
DX2FJY
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| Drug Name |
Lys-Lys-[deltaPhe7] Bradykinin
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| Synonyms |
CHEMBL2371629
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| Indication | Discovery agent | Investigative | [1587926] | ||
| Formula |
C66H101N19O12
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| Canonical SMILES |
NCCCC[C@@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CO)C(=O)N[C@@H](CN[C@@H](Cc4ccccc4)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)Cc5ccccc5
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| InChI |
InChI=1S/C66H101N19O12/c67-30-12-10-24-46(69)56(88)80-47(25-11-13-31-68)57(89)81-48(26-14-32-74-65(70)71)62(94)85-35-17-29-54(85)63(95)84-34-16-28-53(84)61(93)77-40-55(87)79-51(38-44-22-8-3-9-23-44)59(91)83-52(41-86)60(92)78-45(36-42-18-4-1-5-19-42)39-76-50(37-43-20-6-2-7-21-43)58(90)82-49(64(96)97)27-15-33-75-66(72)73/h1-9,18-23,45-54,76,86H,10-17,24-41,67-69H2,(H,77,93)(H,78,92)(H,79,87)(H,80,88)(H,81,89)(H,82,90)(H,83,91)(H,96,97)(H4,70,71,74)(H4,72,73,75)/t45-,46-,47-,48+,49+,50+,51+,52+,53+,54+/m1/s1
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| InChIKey |
PWRMRTGANQTLHG-WZPUDIMCSA-N
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| Target and Pathway | |||||
| Target(s) | B1 bradykinin receptor | Target Info | [1587926] | ||
| B2 bradykinin receptor | Target Info | [1587926] | |||
| KEGG Pathway | Calcium signaling pathway | ||||
| Neuroactive ligand-receptor interaction | |||||
| Complement and coagulation cascades | |||||
| Inflammatory mediator regulation of TRP channels | |||||
| Regulation of actin cytoskeleton | |||||
| Pathways in cancerhsa04020:Calcium signaling pathway | |||||
| cGMP-PKG signaling pathway | |||||
| Sphingolipid signaling pathway | |||||
| Endocrine and other factor-regulated calcium reabsorption | |||||
| Chagas disease (American trypanosomiasis) | |||||
| Pathways in cancer | |||||
| Pathway Interaction Database | Direct p53 effectors | ||||
| Validated transcriptional targets of deltaNp63 isoforms | |||||
| WikiPathways | Complement and Coagulation Cascades | ||||
| ACE Inhibitor Pathway | |||||
| Regulation of Actin Cytoskeleton | |||||
| GPCRs, Class A Rhodopsin-like | |||||
| Vitamin D Receptor Pathway | |||||
| Gastrin-CREB signalling pathway via PKC and MAPK | |||||
| Peptide GPCRs | |||||
| GPCR ligand binding | |||||
| GPCR downstream signalingWP554:ACE Inhibitor Pathway | |||||
| Nifedipine Activity | |||||
| GPCR downstream signaling | |||||
| References | |||||
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