TPDB81499

noncanonical_tokenized modified

12 amino acids

TPDB ID TPDB81499

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','MEL','ABU(5-TET)','MEL','T','BU_GLY','ME_PHE(3-CL)','MEL','V','MEL','D','-PIP']

Source representation

>TPDB81499||length=12
['SAR','MEL','ABU(5-TET)','MEL','T','BU_GLY','ME_PHE(3-CL)','MEL','V','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

CCCCN1CC(=O)N(C)[C@@H](Cc2cccc(Cl)c2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](CCc2nn[nH]n2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C1=O Caco-2 permeability

Caco2

-6.68

MaxPartialCharge

0.247807006

MinPartialCharge

-0.390716754

Molecule_Shape

Lariat

MolWt

1424.242

Permeability

-6.68