LigandBoxID:PDB_ACV

NAME:ACV;L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-VALINE
SMILES: SCC(C(NC(C(=O)O)C(C)C)=O)NC(CCCC(C(=O)O)N)=O

2D 3D

select 3D conformers:
SDF file MOL2 file

Compound ID of the source

PDB_LIGAND
ACV(PDBeCHEM) ACV(ChemComp)

Calculated physical properties

MOLECULAR_FORMULA MOLECULAR_WEIGHT MOLECULAR_CHARGE NUM_OF_DONOR
C14H24N3O6S 362.426 -1 5
NUM_OF_ACCEPTOR NUM_OF_CHIRAL_ATOMS LUMO HOMO
6 3 1.2489 -4.6631
LOGS LOGP    
-2.3566 -2.5503    

Links to the same SMILES compounds

LIGANDBOX C05556
CHEMBL CHEMBL418100 CHEMBL60683 CHEMBL70421
ZINC ZINC03873037
PUBCHEM 10595114 10761342 10761622 123672 12790356
20056448 25245629 3860 440722 448130


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