Ligand

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Ligand Name:   3,7-BIS(DIMETHYLAMINO)PHENOTHIAZIN-5-IUM
HET ID:   MBT PubChem:   4139
DrugBank:   DB08167 ChEMBL:   CHEMBL191083
Canonical SMILES:   CN(c1ccc2c(c1)[s+]c1c(n2)ccc(c1)N(C)C)C
Standard InChI:   InChI=1S/C16H18N3S/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13/h5-10H,1-4H3/q+1
Molecular Formula:   C16H18N3S+ Mol. Weight:   284.39923 Heavy Atoms:   20
Charge:   1 Is Chiral:   False logP:   3.8626
HBD:   0 HBA:   4 TPSA:   47.61
#Bonds:   22 #Rotatable Bonds:   2 Shape Complexity:   0.25
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Immunoglobulin lambda variable 2-8 P01709 (LV208_HUMAN) Homo sapiens 5ACM
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