Covpdb









Ligand
Ligand Name:   phenyl glycyl-l-alpha-aminopimelyl-epsilon-(d-2-aminoethyl)phosphonate
Ligand Type:   non-polymer
Ligand ID:   COVPDB1277 PubChem:   101231580
Synonym(s):  
  •   [(s)-1-[[(s)-6-(glycylamino)-7-hydroxy-7-oxoheptanoyl]amino]ethyl]phosphonic acid hydrogen phenyl ester
DrugBank:   - ChEMBL:   -
Canonical SMILES:   C[C@@H](NC(=O)CCCC[C@H](NC(=O)CN)C(O)=O)P(O)(=O)Oc1ccccc1
Standard InChI:   InChI=1S/C17H26N3O7P/c1-12(28(25,26)27-13-7-3-2-4-8-13)19-15(21)10-6-5-9-14(17(23)24)20-16(22)11-18/h2-4,7-8,12,14H,5-6,9-11,18H2,1H3,(H,19,21)(H,20,22)(H,23,24)(H,25,26)/t12-,14-/m0/s1
Molecular Formula:   C17H26N3O7P Mol. Weight:   415.15085 logP:   0.8015
HBD:   5 HBA:   6
#Rotatable Bonds:   12 TPSA:   168.05

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
D-alanyl-D-alanine carboxypeptidase P15555 (DAC_STRSR) Streptomyces sp. (strain R61) 1MPL RE1 Ki : 0.17 nM, Ki : 170000 nM PDBBind SHOW