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Peptide record

TPDB47702

ACE inhibitor ACE inhibitors Antihypertensive standard
3 amino acids
Basic Information
3D PDB MODEL
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TPDB47702
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
MRW
Physicochemical Analysis
C22H33N7O4S1
ANDCEQGHILKFPSTYV
RMW
491.61
11.05
1
0
2
+1
-1.27
-1.167
0.00
Mammalian: 30 hour Yeast: >20 hour E.coli: >10 hour
5500
1118.78
0
Residue Composition
number
0
A
1
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
0
V
Amino Acid Distribution
A: 0 R: 1 N: 0 D: 0 C: 0 E: 0 Q: 0 G: 0 H: 0 I: 0 L: 0 K: 0 M: 1 F: 0 P: 0 S: 0 T: 0 W: 1 Y: 0 V: 0
Chemical Descriptors
3
C22H33N7O4S1
491.61
11.05
+1
-1.27
-1.167
491.6067
491.2308
Evidence Records 2 records
Evidence 1 Activity

Activity

IC50
ACE inhibitors
0.60 µM
Inhibitor of Angiotensin-Converting Enzyme (ACE) (EC 3.4.15.1) (MEROPS ID: M02-001)
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-UWM database of bioactive peptides SMILES: N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O InChI=1S/C22H33N7O4S/c1-34-10-8-15(23)19(30)28-17(7-4-9-26-22(24)25)20(31)29-18(21(32)33)11-13-12-27-16-6-3-2-5-14(13)16/h2-3,5-6,12,15,17-18,27H,4,7-11,23H2,1H3,(H,28,30)(H,29,31)(H,32,33)(H4,24,25,26)/t15-,17-,18-/m0/s1 InChIKey: CHLJXFMOQGYDNH-SZMVWBNQSA-N Information concerning Angiotensin-Converting Enzyme (ACE) is available in MEROPS database of proteolytic enzymes (http://merops.sanger.ac.uk/) ID: M02-001
Evidence 2 Activity

Activity

IC50
Antihypertensive
0.60 µM
Inhibitor of Angiotensin-Converting Enzyme (ACE) (EC 3.4.15.1) (MEROPS ID: M02-001)
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-UWM database of bioactive peptides SMILES: N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O InChI=1S/C22H33N7O4S/c1-34-10-8-15(23)19(30)28-17(7-4-9-26-22(24)25)20(31)29-18(21(32)33)11-13-12-27-16-6-3-2-5-14(13)16/h2-3,5-6,12,15,17-18,27H,4,7-11,23H2,1H3,(H,28,30)(H,29,31)(H,32,33)(H4,24,25,26)/t15-,17-,18-/m0/s1 InChIKey: CHLJXFMOQGYDNH-SZMVWBNQSA-N Information concerning Angiotensin-Converting Enzyme (ACE) is available in MEROPS database of proteolytic enzymes (http://merops.sanger.ac.uk/) ID: M02-001
Additional Detail Fields 1 fields
3