Histidyltyrosine
AlkaPlorer ID: AK404297
Synonym: None
IUPAC Name: 2-[[2-azaniumyl-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoate
Structure
SMILES: [NH3+]C(CC1=CN=CN1)C(=O)NC(CC1=CC=C(O)C=C1)C(=O)[O-]
InChI: InChI=1S/C15H18N4O4/c16-12(6-10-7-17-8-18-10)14(21)19-13(15(22)23)5-9-1-3-11(20)4-2-9/h1-4,7-8,12-13,20H,5-6,16H2,(H,17,18)(H,19,21)(H,22,23)
InChIKey: HTOOKGDPMXSJSY-UHFFFAOYSA-N
Reference
Bioactive Quassinoids from the Seeds of <i>Brucea javanica</i>
PubChem CID: 435685
CAS: 35979-00-1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 318.3330000000001
TPSA？: 145.78
MolLogP？: -2.254299999999998
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Angiotensin-converting enzyme | Inhibition | 22.6 | % | None |
| Homo sapiens | Angiotensin-converting enzyme 2 | Inhibition | 13.4 | % | None |
| Homo sapiens | Neprilysin | Inhibition | 2.9 | % | None |
| None | Unchecked | Activity | nan | None | None |
| None | Unchecked | EC50 | 9200.0 | nM | None |
| None | Unchecked | EC50 | 20500.0 | nM | None |
| None | Unchecked | EC50 | 23600.0 | nM | None |
| None | Unchecked | EC50 | 36200.0 | nM | None |
| None | Unchecked | EC50 | 42300.0 | nM | None |
| None | Unchecked | EC50 | 58600.0 | nM | None |
| None | Unchecked | Emax | 190.0 | % | None |
| None | Unchecked | Emax | 203.5 | % | None |
| None | Unchecked | Emax | 234.7 | % | None |
| None | Unchecked | Emax | 238.3 | % | None |
| None | Unchecked | FC | 2.0 | None | None |
| None | Unchecked | FC | 3.0 | None | None |
| None | Unchecked | FC | 6.0 | None | None |
| None | Unchecked | Inhibition | 25.9 | % | None |
| None | Unchecked | Km | 6400.0 | nM | None |
| None | Unchecked | Km | 7900.0 | nM | None |
| None | Unchecked | Vmax | 124.2 | /min | None |
| None | Unchecked | Vmax | 164.8 | /min | None |
| None | Unchecked | Vmax/Km | 15.7 | None | None |
| None | Unchecked | Vmax/Km | 25.8 | None | None |