TPDB81475

noncanonical_tokenized modified

12 amino acids

TPDB ID TPDB81475

Activity

Activity_category_statistics

Database_Source

CycPeptMPDB_Caco2

Sequence_Type

noncanonical_tokenized

Has_Modification Yes

Description A 12-aa noncanonical peptide sequence curated from CycPeptMPDB_Caco2, without an available 3D structural model.

Sequence

['SAR','MEF','LYS(ME2)','MEL','T','ISOAMYL_GLY','MEF','MEL','SER(TBU)','MEV','D','-PIP']

Source representation

>TPDB81475||length=12
['SAR','MEF','LYS(ME2)','MEL','T','ISOAMYL_GLY','MEF','MEL','SER(TBU)','MEV','D','-PIP']

Sequence-only estimates are not provided for modified or non-standard source notation. Reported molecular properties, when available, are retained below with their source records.

Length

12 reviewed residue count

SMILES

CC(C)CCN1CC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](COC(C)(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)CC(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCN(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C1=O Caco-2 permeability

Caco2

-6.96

MaxPartialCharge

0.247807169

MinPartialCharge

-0.390716754

Molecule_Shape

Lariat

MolWt

1470.951

Permeability

-6.96