Ligand
Ligand Name:   dansyl-PEG2-HTL
Ligand Type:   non-polymer
Ligand ID:   COVPDB400 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CN(C)c1cccc(c12)c(ccc2)S(=O)(=O)NCCOCCOCCCCCCCl
Standard InChI:   InChI=1S/C22H33ClN2O4S/c1-25(2)21-11-7-10-20-19(21)9-8-12-22(20)30(26,27)24-14-16-29-18-17-28-15-6-4-3-5-13-23/h7-12,24H,3-6,13-18H2,1-2H3
Molecular Formula:   C22H33ClN2O4S Mol. Weight:   456.18497 logP:   4.0165
HBD:   1 HBA:   5
#Rotatable Bonds:   15 TPSA:   67.87

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Haloalkane dehalogenase P0A3G3 (DHAA_RHOSO) Rhodococcus sp. 5Y2Y 8LL
-
-
SHOW