TPDB79462

noncanonical_tokenized modified

12 amino acids

TPDB ID TPDB79462

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

['MEL','I','BAL','SAR','ME_HPH','SAR','PHE(3-CL)','MEL','MEF','MEL','D','-PYRRO']

Source representation

>TPDB79462||length=12
['MEL','I','BAL','SAR','ME_HPH','SAR','PHE(3-CL)','MEL','MEF','MEL','D','-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](CC(C)C)N(C)C(=O)C[C@@H](C(=O)N2CCCC2)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)CN(C)C(=O)[C@H](CCc2ccccc2)N(C)C(=O)CN(C)C(=O)CCNC1=O Caco-2 permeability

Caco2

-6.8

MaxPartialCharge

0.245632016

MinPartialCharge

-0.353789506

Molecule_Shape

Lariat

MolWt

1394.211

Permeability

-6.8