TPDB90590

noncanonical_tokenized modified

12 amino acids

TPDB ID TPDB90590

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

['DL','MEH','L','MEL','T','BU_GLY','MEL','SER(TBU)','ME_PHE(3-CL)','MEL','D','-PIP']

Source representation

>TPDB90590||length=12
['DL','MEH','L','MEL','T','BU_GLY','MEL','SER(TBU)','ME_PHE(3-CL)','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](CC(C)C)C(=O)N[C@@H](COC(C)(C)C)C(=O)N(C)[C@@H](Cc2cccc(Cl)c2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N2CCCCC2)CC(=O)N[C@H](CC(C)C)C(=O)N(C)[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C1=O Caco-2 permeability

Caco2

-7.52

MaxPartialCharge

0.247807006

MinPartialCharge

-0.390716754

Molecule_Shape

Lariat

MolWt

1494.373

Permeability

-7.52