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2-[(2-aminoacetyl)-methylamino]acetic acid

2D Structure
3D Structure
Source:
General
Identifier MM00740
SMILES CN(CC(=O)O)C(=O)CN
InChIKey VYAMLSCELQQRAE-UHFFFAOYSA-N
MW [Da] 146.15

Automatically obtained from RDkit software.
LogP -1.51

Automatically obtained from RDkit software.
Links

PubChem

 93131

DrugBank

 N/A

ChEBI

 N/A

PDB

 N/A

ChEMBL

 N/A
Similar entries
Sar-sar-oh
Similarity: 0.8824
Similarity to Sar-sar-oh
Tanimoto metric 0.8824
Cosine metric 0.9393
Dice metric 0.9375
MW:
160.17
PI:
0
Total passive interactions
2-[(2-aminoacetyl)-methylamino]acetic acid
 2
Sar-sar-oh
 0
LogP:
-1.25
AI:
0
Total active interactions
2-[(2-aminoacetyl)-methylamino]acetic acid
 2
Sar-sar-oh
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69875-15-6
Similarity: 0.7297
Similarity to 69875-15-6
Tanimoto metric 0.7297
Cosine metric 0.8542
Dice metric 0.8438
MW:
160.17
PI:
0
Total passive interactions
2-[(2-aminoacetyl)-methylamino]acetic acid
 2
69875-15-6
 0
LogP:
-1.12
AI:
0
Total active interactions
2-[(2-aminoacetyl)-methylamino]acetic acid
 2
69875-15-6
 0
MM67996
Similarity: 0.7123
Similarity to MM67996
Tanimoto metric 0.7123
Cosine metric 0.8347
Dice metric 0.832
MW:
145.16
PI:
1
Total passive interactions
2-[(2-aminoacetyl)-methylamino]acetic acid
 2
MM67996
 1
LogP:
-0.06
AI:
0
Total active interactions
2-[(2-aminoacetyl)-methylamino]acetic acid
 2
MM67996
 0
+43 more

No data

Methods

Computed
Q-based
QSAR

No data

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Target
Uniprot ID
Type
pKm
pEC50
pKi
pIC50
Primary
reference
Secondary
reference
Note
SLC15A2
Non-substrate
4.32
4.19

Ganapathy ME, Brandsch M, Prasad PD, Ganapathy V, Leibach FH.: Differential recognition of beta -lactam antibiotics by intestinal and renal peptide transporters, PEPT 1 and PEPT 2. J Biol Chem, Volume 270 (43), 1995

Ganapathy ME, Brandsch M, Prasad PD, Ganapathy V, Leibach FH.: Differential recognition of beta -lactam antibiotics by intestinal and renal peptide transporters, PEPT 1 and PEPT 2. J Biol Chem, Volume 270 (43), 1995

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

SLC15A2
Non-substrate
4.13

Ramamoorthy S, Liu W, Ma YY, Yang-Feng TL, Ganapathy V, Leibach FH.: Proton/peptide cotransporter (PEPT 2) from human kidney: functional characterization and chromosomal localization. Biochim Biophys Acta, Volume 1240 (1), 1995

Ramamoorthy S, Liu W, Ma YY, Yang-Feng TL, Ganapathy V, Leibach FH.: Proton/peptide cotransporter (PEPT 2) from human kidney: functional characterization and chromosomal localization. Biochim Biophys Acta, Volume 1240 (1), 1995

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