Drug Information

Drug General Information
Drug ID
D0KH9Z
Former ID
DNC003745
Drug Name
Pro-His-Pro-Phe-His-Leu(CH2NH)Val-Ile-His-Lys
Indication Discovery agent Investigative [533426]
Structure
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2D MOL

3D MOL
Formula
C60H91N17O10
Canonical SMILES
CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)NC(CCCCN)C(=O)O)NC(=O)C<br />(C(C)C)NCC(CC(C)C)NC(=O)C(CC2=CN=CN2)NC(=O)C(CC3=CC=CC=<br />C3)NC(=O)C4CCCN4C(=O)C(CC5=CN=CN5)NC(=O)C6CCCN6
InChI
1S/C60H91N17O10/c1-7-37(6)51(58(84)74-47(26-40-29-63-33-68-40)55(81)71-44(60(86)87)17-11-12-20-61)76-57(83)50(36(4)5)66-31-42(23-35(2)3)70-53(79)46(25-39-28-62-32-67-39)72-54(80)45(24-38-15-9-8-10-16-38)73-56(82)49-19-14-22-77(49)59(85)48(27-41-30-64-34-69-41)75-52(78)43-18-13-21-65-43/h8-10,15-16,28-30,32-37,42-51,65-66H,7,11-14,17-27,31,61H2,1-6H3,(H,62,67)(H,63,68)(H,64,69)(H,70,79)(H,71,81)(H,72,80)(H,73,82)(H,74,84)(H,75,78)(H,76,83)(H,86,87)/t37-,42-,43+,44-,45-,46-,47-,48-,49+,50-,51-/m0/s1
InChIKey
XIZSMQBWVQNHCA-XTAHDJANSA-N
PubChem Compound ID
44297622
Target and Pathway
Target(s) Renin, renal Target Info Inhibitor [533426]
KEGG Pathway Renin-angiotensin system
PathWhiz Pathway Angiotensin Metabolism
Reactome Metabolism of Angiotensinogen to Angiotensins
WikiPathways ACE Inhibitor Pathway
Metabolism of Angiotensinogen to Angiotensins
References
Ref 533426J Med Chem. 1988 Sep;31(9):1839-46.Synthesis and biological activity of some transition-state inhibitors of human renin.
Ref 533426J Med Chem. 1988 Sep;31(9):1839-46.Synthesis and biological activity of some transition-state inhibitors of human renin.

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