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Peptide record

TPDB47681

ACE inhibitor ACE inhibitors Antihypertensive standard
3 amino acids
Basic Information
3D PDB MODEL
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TPDB47681
ACE inhibitor
ACE inhibitors Antihypertensive
Cardiometabolic peptides
Peptipedia AHTPDB AHTpin
standard
No
A 3-aa standard natural multi-activity (ACE inhibitors and Antihypertensive) peptide sequence curated from Peptipedia, AHTPDB, and AHTpin, with an available 3D structural model.
Sequence
TKY
Physicochemical Analysis
C19H30N4O6
ARNDCEQGHILMFPSWV
KTY
410.47
9.74
1
0
1
+1
0.19
-1.967
0.00
Mammalian: 7.2 hour Yeast: >20 hour E.coli: >10 hour
1490
363.00
2
Residue Composition
number
0
A
0
R
0
N
0
D
0
C
0
E
0
Q
0
G
0
H
0
I
0
L
1
K
0
M
0
F
0
P
0
S
1
T
0
W
1
Y
0
V
Amino Acid Distribution
A: 0 R: 0 N: 0 D: 0 C: 0 E: 0 Q: 0 G: 0 H: 0 I: 0 L: 0 K: 1 M: 0 F: 0 P: 0 S: 0 T: 1 W: 0 Y: 1 V: 0
Chemical Descriptors
3
C19H30N4O6
410.47
9.74
+1
0.19
-1.967
410.4635
410.2158
Evidence Records 2 records
Evidence 1 Activity

Activity

IC50
ACE inhibitors
2.29 µM
Inhibitor of Angiotensin-Converting Enzyme (ACE) (EC 3.4.15.1) (MEROPS ID: XM02-001)
ACE inhibitor
ah

Source & Reference

NA
Wu J., Aluko R. E., Nakai S.
Structural requirements of angiotensin I-converting enzyme inhibitory activity: quantitative structure-activity relationship study of di- and tripeptides. J. Agric. Food Chem., 54, 732-738, 2006
2006
Journal

Other

3
BIOPEP database of bioactive peptides SMILES: N[C@@]([H])(C(O)C)C(=O)N[C@@]([H])(CCCCN)C(=O)N[C@@]([H])(Cc1ccc(O)cc1)C(=O)O InChI=1S/C19H30N4O6/c1-11(24)16(21)18(27)22-14(4-2-3-9-20)17(26)23-15(19(28)29)10-12-5-7-13(25)8-6-12/h5-8,11,14-16,24-25H,2-4,9-10,20-21H2,1H3,(H,22,27)(H,23,26)(H,28,29)/t11?,14-,15-,16-/m0/s1 InChIKey: KKPOGALELPLJTL-UMPGGZTISA-N Information concerning Angiotensin-Converting Enzyme (ACE) is available in MEROPS database of proteolytic enzymes (http://merops.sanger.ac.uk/) ID: XM02-001
Evidence 2 Activity

Activity

IC50
Antihypertensive
2.29 µM
Inhibitor of Angiotensin-Converting Enzyme (ACE) (EC 3.4.15.1) (MEROPS ID: XM02-001)
ACE inhibitor
ah

Source & Reference

AHTPDB
Wu J., Aluko R. E., Nakai S.
Structural requirements of angiotensin I-converting enzyme inhibitory activity: quantitative structure-activity relationship study of di- and tripeptides. J. Agric. Food Chem., 54, 732-738, 2006
2006
Journal

Other

Source Activity Label Source Definition
Antihypertensive
AHTPDB manually curated experimentally validated antihypertensive peptide annotation.
3
BIOPEP database of bioactive peptides SMILES: N[C@@]([H])(C(O)C)C(=O)N[C@@]([H])(CCCCN)C(=O)N[C@@]([H])(Cc1ccc(O)cc1)C(=O)O InChI=1S/C19H30N4O6/c1-11(24)16(21)18(27)22-14(4-2-3-9-20)17(26)23-15(19(28)29)10-12-5-7-13(25)8-6-12/h5-8,11,14-16,24-25H,2-4,9-10,20-21H2,1H3,(H,22,27)(H,23,26)(H,28,29)/t11?,14-,15-,16-/m0/s1 InChIKey: KKPOGALELPLJTL-UMPGGZTISA-N Information concerning Angiotensin-Converting Enzyme (ACE) is available in MEROPS database of proteolytic enzymes (http://merops.sanger.ac.uk/) ID: XM02-001
Additional Detail Fields 1 fields
3