TPDB79950

noncanonical_tokenized modified

12 amino acids

TPDB ID TPDB79950

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

['ME_DA','SER(PH(2-CL))','MEL','SER(ISOAMYL)','L','P','ME_HPH','BAL','MEF','I','MED','-PYRRO']

Source representation

>TPDB79950||length=12
['ME_DA','SER(PH(2-CL))','MEL','SER(ISOAMYL)','L','P','ME_HPH','BAL','MEF','I','MED','-PYRRO']

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]1NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)CCNC(=O)[C@H](CCc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](COCCC(C)C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](COc2ccccc2Cl)NC(=O)[C@@H](C)N(C)C(=O)C[C@@H](C(=O)N2CCCC2)N(C)C1=O Caco-2 permeability

Caco2

-6.38

MaxPartialCharge

0.248634747

MinPartialCharge

-0.489322493

Molecule_Shape

Lariat

MolWt

1480.301

Permeability

-6.38