TPDB79587

noncanonical_tokenized modified

12 amino acids

TPDB ID TPDB79587

Activity

Activity_category_statistics

Database_Source

CycPeptMPDB_Caco2 PepLand_ncCPP CycPeptMPDB_PAMPA

Sequence_Type

noncanonical_tokenized

Has_Modification Yes

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

Sequence

['ME_BAL','F','MEF','MEL','T','MEA','MEI','L','MEL','SER(TBU)','MEL','BAL(3-ME)']

Source representation

>TPDB79587||length=12
['ME_BAL','F','MEF','MEL','T','MEA','MEI','L','MEL','SER(TBU)','MEL','BAL(3-ME)']

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@H](C)[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](COC(C)(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)CC(=O)N(C)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N(C)[C@@H](C)C(=O)N1C Caco-2 permeability, PAMPA / MDCK / RRCK permeability

Caco2

-5.4

MaxPartialCharge

0.247752853

MinPartialCharge

-0.390716755

Molecule_Shape

Circle

MolWt

1429.898

PAMPA

-4.62

Permeability

-5.4 -4.62