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Glycylglycylglycine

2D Structure
3D Structure
Source:
General
Identifier MM17303
SMILES NCC(=O)NCC(=O)NCC(=O)O
InChIKey XKUKSGPZAADMRA-UHFFFAOYSA-N
MW [Da] 189.17

Automatically obtained from RDkit software.
LogP -2.74

Automatically obtained from RDkit software.
Links

PubChem

 N/A

DrugBank

 N/A

ChEBI

 N/A

PDB

 N/A

ChEMBL

 N/A
Similar entries
Glycylglycine
Similarity: 0.6744
Similarity to Glycylglycine
Tanimoto metric 0.6744
Cosine metric 0.8212
Dice metric 0.8056
MW:
132.12
PI:
1
Total passive interactions
Glycylglycylglycine
 1
Glycylglycine
 1
LogP:
-1.85
AI:
0
Total active interactions
Glycylglycylglycine
 1
Glycylglycine
 0
MM318847
Similarity: 0.6454
Similarity to MM318847
Tanimoto metric 0.6454
Cosine metric 0.7895
Dice metric 0.7845
MW:
146.15
PI:
2
Total passive interactions
Glycylglycylglycine
 1
MM318847
 2
LogP:
-2.16
AI:
0
Total active interactions
Glycylglycylglycine
 1
MM318847
 0
Sar-sar-oh
Similarity: 0.558
Similarity to Sar-sar-oh
Tanimoto metric 0.558
Cosine metric 0.7189
Dice metric 0.7163
MW:
160.17
PI:
0
Total passive interactions
Glycylglycylglycine
 1
Sar-sar-oh
 0
LogP:
-1.25
AI:
0
Total active interactions
Glycylglycylglycine
 1
Sar-sar-oh
 0
+46 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-substrate
3.24

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