Ligand
Ligand Name:   (BOC)LPA(B27) PEPTIDE
Ligand Type:   peptide-like
Ligand ID:   COVPDB526 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CC(C)(C)OC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@H](CS)[C@@H](C)O
Standard InChI:   InChI=1S/C23H42N4O6S/c1-13(2)11-16(26-22(32)33-23(5,6)7)21(31)27-10-8-9-18(27)20(30)24-14(3)19(29)25-17(12-34)15(4)28/h13-18,28,34H,8-12H2,1-7H3,(H,24,30)(H,25,29)(H,26,32)/t14-,15+,16-,17+,18-/m0/s1
Molecular Formula:   C23H42N4O6S Mol. Weight:   502.2825 logP:   1.2169
HBD:   5 HBA:   7
#Rotatable Bonds:   10 TPSA:   137.07

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
LPXTG-site transpeptidase family protein Q81V16 (Q81V16_BACAN) Bacillus anthracis 2RUI B27
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