TPDB80043

noncanonical_tokenized modified

12 amino acids

TPDB ID TPDB80043

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

['MONO6','MEA','SER(PH(3-CL))','MEF','MEF','SER(TBU)','MEL','T','MEA','MEL','D','-PIP']

Source representation

>TPDB80043||length=12
['MONO6','MEA','SER(PH(3-CL))','MEF','MEF','SER(TBU)','MEL','T','MEA','MEL','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)C[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)CCCC(=O)N(C)[C@@H](C)C(=O)N[C@@H](COc2cccc(Cl)c2)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N[C@@H](COC(C)(C)C)C(=O)N1C Caco-2 permeability

Caco2

-6.51

MaxPartialCharge

0.248645814

MinPartialCharge

-0.490835754

Molecule_Shape

Lariat

MolWt

1470.262

Permeability

-6.51