Covpdb









Ligand
Ligand Name:   N5-(1-imino-2-chloroethyl)-L-lysine
Ligand Type:   non-polymer
Ligand ID:   COVPDB848 PubChem:   57279634
Synonym(s):  
  •   nsc767028
  • nsc-767028
show 1 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   N[C@@H](CCCCNC(=N)CCl)C(O)=O
Standard InChI:   InChI=1S/C8H16ClN3O2/c9-5-7(11)12-4-2-1-3-6(10)8(13)14/h6H,1-5,10H2,(H2,11,12)(H,13,14)/t6-/m0/s1
Molecular Formula:   C8H16ClN3O2 Mol. Weight:   221.09311 logP:   0.37427
HBD:   4 HBA:   3
#Rotatable Bonds:   7 TPSA:   99.2

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 O94760 (DDAH1_HUMAN) Homo sapiens (Human) 6DGE GBG Ki : 190 nM PDBBind SHOW