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Glycylleucylphenylalanine

2D Structure
3D Structure
Source:
General
Identifier MM16688
SMILES CC(C)CC(NC(=O)CN)C(=O)NC(Cc1ccccc1)C(=O)O
InChIKey TVUWMSBGMVAHSJ-UHFFFAOYSA-N
MW [Da] 335.4

Automatically obtained from RDkit software.
LogP 0.29

Automatically obtained from RDkit software.
Links

PubChem

 N/A

DrugBank

 N/A

ChEBI

 N/A

PDB

 N/A

ChEMBL

 N/A
Similar entries
H-pro-phe-oh
Similarity: 0.8498
Similarity to H-pro-phe-oh
Tanimoto metric 0.8498
Cosine metric 0.92
Dice metric 0.9188
MW:
262.31
PI:
0
Total passive interactions
Glycylleucylphenylalanine
 1
H-pro-phe-oh
 0
LogP:
0.55
AI:
0
Total active interactions
Glycylleucylphenylalanine
 1
H-pro-phe-oh
 0
Mdl-28170
Similarity: 0.7829
Similarity to Mdl-28170
Tanimoto metric 0.7829
Cosine metric 0.8825
Dice metric 0.8782
MW:
264.33
PI:
1
Total passive interactions
Glycylleucylphenylalanine
 1
Mdl-28170
 1
LogP:
0.78
AI:
1
Total active interactions
Glycylleucylphenylalanine
 1
Mdl-28170
 1
Ala-phe
Similarity: 0.7273
Similarity to Ala-phe
Tanimoto metric 0.7273
Cosine metric 0.8528
Dice metric 0.8421
MW:
236.27
PI:
1
Total passive interactions
Glycylleucylphenylalanine
 1
Ala-phe
 1
LogP:
0.15
AI:
0
Total active interactions
Glycylleucylphenylalanine
 1
Ala-phe
 0
+13 more

No data

Methods

Computed
QSAR

No data

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Target
Uniprot ID
Type
pKm
pEC50
pKi
pIC50
Primary
reference
Secondary
reference
Note
SLC15A1
Non-inhibitor
3.01

Vig BS, Stouch TR, Timoszyk JK, Quan Y, Wall DA, Smith RL, Faria TN.: Human PEPT1 pharmacophore distinguishes between dipeptide transport and binding. J Med Chem, Volume 49 (12), 2006

Vig BS, Stouch TR, Timoszyk JK, Quan Y, Wall DA, Smith RL, Faria TN.: Human PEPT1 pharmacophore distinguishes between dipeptide transport and binding. J Med Chem, Volume 49 (12), 2006

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