Ligand
Ligand Name:   PAS219
Ligand Type:   non-polymer
Ligand ID:   COVPDB106 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   O=Cc1ccccc1OP(=O)([O-])OCC2CCCCC2
Standard InChI:   InChI=1S/C14H19O5P/c15-10-13-8-4-5-9-14(13)19-20(16,17)18-11-12-6-2-1-3-7-12/h4-5,8-10,12H,1-3,6-7,11H2,(H,16,17)/p-1
Molecular Formula:   C14H18O5P- Mol. Weight:   297.08972 logP:   2.9432
HBD:   0 HBA:   5
#Rotatable Bonds:   6 TPSA:   75.66

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Proto-oncogene tyrosine-protein kinase Src P12931 (SRC_HUMAN) Homo sapiens (Human) 1O4I 219 IC50 : 2300000 nM PDBBind SHOW
Proto-oncogene tyrosine-protein kinase Src P12931 (SRC_HUMAN) Homo sapiens (Human) 1O4I 219 IC50 : 2300000 nM BindingDB SHOW