L-Phenylalanine | MolMeDB

L-Phenylalanine

2D Structure

3D Structure

Source:

General
Identifier	MM00756
SMILES	NC(Cc1ccccc1)C(=O)O Presented in the original dataset.
InChIKey	COLNVLDHVKWLRT-QMMMGPOBSA-N Automatically obtained from RDkit software.
MW [Da]	165.19 Automatically obtained from RDkit software.
LogP	0.64 Automatically obtained from RDkit software.

Links
PubChem	6140 Presented in the original dataset.
DrugBank	DB00120 Presented in the original dataset.
ChEBI	17295 Presented in the original dataset.
PDB	PHE Presented in the original dataset.
ChEMBL	CHEMBL301523 Presented in the original dataset.

Similar entries

D-phenylalanine

Similarity: 1

Similarity to D-phenylalanine

Tanimoto metric	1
Cosine metric	1
Dice metric	1

Total passive interactions

L-Phenylalanine	13
D-phenylalanine	0

Total active interactions

L-Phenylalanine	1
D-phenylalanine	1

Similarity: 0.8155

Similarity to L-Tyrosine

Tanimoto metric	0.8155
Cosine metric	0.903
Dice metric	0.8983

Total passive interactions

L-Phenylalanine	13
L-Tyrosine	4

Total active interactions

L-Phenylalanine	1
L-Tyrosine	1

3-Phenylpropionic Acid

Similarity: 0.6842

Similarity to 3-Phenylpropionic Acid

Tanimoto metric	0.6842
Cosine metric	0.8272
Dice metric	0.8125

Total passive interactions

L-Phenylalanine	13
3-Phenylpropionic Acid	9

Total active interactions

L-Phenylalanine	1
3-Phenylpropionic Acid	0

+18 more

No data

Methods

Computed

Mechanistic

Q-based

QSAR

Experimental

Permeability

No data

Target	Uniprot ID	Type	pKm	pEC₅₀	pK_i	pIC₅₀	Primary reference	Secondary reference	Note
Hide empty columns:
SLC7A5	Q01650	Non-inhibitor				4.16	Chien HC, Colas C, Finke K, Springer S, Stoner L, Zur AA, Venteicher B, Campbell J, Hall C, Flint A, Augustyn E, Hernandez C, Heeren N, Hansen L, Anthony A, Bauer J, Fotiadis D, Schlessinger A, Giacomini KM, Thomas AA.: Reevaluating the Substrate Specificity of the L-Type Amino Acid Transporter (LAT1). J Med Chem, Volume 61 (16), 2018 Chien HC, Colas C, Finke K, Springer S, Stoner L, Zur AA, Venteicher B, Campbell J, Hall C, Flint A, Augustyn E, Hernandez C, Heeren N, Hansen L, Anthony A, Bauer J, Fotiadis D, Schlessinger A, Giacomini KM, Thomas AA.: Reevaluating the Substrate Specificity of the L-Type Amino Acid Transporter (LAT1). J Med Chem, Volume 61 (16), 2018	Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024 Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR.: The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res, Volume 52 (d1), D1180-D1192, 2024

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