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L-alpha-methyltyrosine

2D Structure
3D Structure
Source:
General
Identifier MM17605
SMILES CC(N)(Cc1ccc(O)cc1)C(=O)O
InChIKey NHTGHBARYWONDQ-UHFFFAOYSA-N
MW [Da] 195.22

Automatically obtained from RDkit software.
LogP 0.74

Automatically obtained from RDkit software.
Links

PubChem

 N/A

DrugBank

 N/A

ChEBI

 N/A

PDB

 N/A

ChEMBL

 N/A
Similar entries
L-Tyrosine
Similarity: 0.8262
Similarity to L-Tyrosine
Tanimoto metric 0.8262
Cosine metric 0.909
Dice metric 0.9049
MW:
181.19
PI:
4
Total passive interactions
L-alpha-methyltyrosine
 1
L-Tyrosine
 4
LogP:
0.35
AI:
1
Total active interactions
L-alpha-methyltyrosine
 1
L-Tyrosine
 1
Methyldopa
Similarity: 0.8103
Similarity to Methyldopa
Tanimoto metric 0.8103
Cosine metric 0.9002
Dice metric 0.8952
MW:
211.22
PI:
1
Total passive interactions
L-alpha-methyltyrosine
 1
Methyldopa
 1
LogP:
0.44
AI:
0
Total active interactions
L-alpha-methyltyrosine
 1
Methyldopa
 0
Carbidopa
Similarity: 0.6998
Similarity to Carbidopa
Tanimoto metric 0.6998
Cosine metric 0.8365
Dice metric 0.8234
MW:
226.23
PI:
1
Total passive interactions
L-alpha-methyltyrosine
 1
Carbidopa
 1
LogP:
-0.05
AI:
3
Total active interactions
L-alpha-methyltyrosine
 1
Carbidopa
 3
+40 more

No data

Methods

Computed
QSAR

No data

Hide empty columns:
Target
Uniprot ID
Type
pKm
pEC50
pKi
pIC50
Primary
reference
Secondary
reference
Note
SLC7A5
Non-inhibitor
4.04

Khunweeraphong N, Nagamori S, Wiriyasermkul P, Nishinaka Y, Wongthai P, Ohgaki R, Tanaka H, Tominaga H, Sakurai H, Kanai Y.: Establishment of stable cell lines with high expression of heterodimers of human 4F2hc and human amino acid transporter LAT1 or LAT2 and delineation of their differential interaction with α-alkyl moieties. J Pharmacol Sci, Volume 119 (4), 2012

Khunweeraphong N, Nagamori S, Wiriyasermkul P, Nishinaka Y, Wongthai P, Ohgaki R, Tanaka H, Tominaga H, Sakurai H, Kanai Y.: Establishment of stable cell lines with high expression of heterodimers of human 4F2hc and human amino acid transporter LAT1 or LAT2 and delineation of their differential interaction with α-alkyl moieties. J Pharmacol Sci, Volume 119 (4), 2012

Mak L, Marcus D, Howlett A, Yarova G, Duchateau G, Klaffke W, Bender A, Glen RC.: Metrabase: a cheminformatics and bioinformatics database for small molecule transporter data analysis and (Q)SAR modeling. J Cheminform, Volume 7, 31, 2015

Mak L, Marcus D, Howlett A, Yarova G, Duchateau G, Klaffke W, Bender A, Glen RC.: Metrabase: a cheminformatics and bioinformatics database for small molecule transporter data analysis and (Q)SAR modeling. J Cheminform, Volume 7, 31, 2015