Ligand
Ligand Name:   carmaphycin analogue 6
Ligand Type:   peptide-like
Ligand ID:   COVPDB749 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)N[C@@H](CC(C)C)C(=O)/C(C)=C\C
Standard InChI:   InChI=1S/C28H50N4O5/c1-10-12-13-14-23(33)31-25(19(5)6)28(37)29-21(15-16-24(34)32(8)9)27(36)30-22(17-18(3)4)26(35)20(7)11-2/h11,18-19,21-22,25H,10,12-17H2,1-9H3,(H,29,37)(H,30,36)(H,31,33)/b20-11-/t21-,22-,25-/m0/s1
Molecular Formula:   C28H50N4O5 Mol. Weight:   522.3781 logP:   3.1269
HBD:   3 HBA:   5
#Rotatable Bonds:   17 TPSA:   124.68

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Proteasome subunit beta type-5 P30656 (PSB5_YEAST) Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast) 4LTC EC6
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