TPDB79472

noncanonical_tokenized modified

12 amino acids

TPDB ID TPDB79472

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','MEA','AZE','ME_CHA','SAR','HPH(4-CF3,3-CL)','P','AC5C','ME_GLY(CPENT)','MED','-MOR']

Source representation

>TPDB79472||length=12
['MEL','I','MEA','AZE','ME_CHA','SAR','HPH(4-CF3,3-CL)','P','AC5C','ME_GLY(CPENT)','MED','-MOR']

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)N2CCOCC2)N(C)C(=O)[C@H](C2CCCC2)N(C)C(=O)C2(CCCC2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCc2ccc(C(F)(F)F)c(Cl)c2)NC(=O)CN(C)C(=O)[C@H](CC2CCCCC2)N(C)C(=O)[C@@H]2CCN2C(=O)[C@H](C)N(C)C1=O Caco-2 permeability

Caco2

-5.759450752

MaxPartialCharge

0.417342355

MinPartialCharge

-0.377774191

Molecule_Shape

Lariat

MolWt

1456.201

Permeability

-5.759450752