Ligand

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Ligand Name:   P-NITROPHENYL-PHOSPHOCHOLINE
HET ID:   NCH PubChem:   445100
DrugBank:   - ChEMBL:   CHEMBL1234651
Canonical SMILES:   O[P@](=O)(Oc1ccc(cc1)[N+](=O)[O-])OCC[N+](C)(C)C
Standard InChI:   InChI=1S/C11H17N2O6P/c1-13(2,3)8-9-18-20(16,17)19-11-6-4-10(5-7-11)12(14)15/h4-7H,8-9H2,1-3H3/p+1
Molecular Formula:   C11H18N2O6P+ Mol. Weight:   305.24417 Heavy Atoms:   20
Charge:   1 Is Chiral:   False logP:   2.32
HBD:   1 HBA:   4 TPSA:   111.39
#Bonds:   20 #Rotatable Bonds:   7 Shape Complexity:   0.45454547
Stereocomplexity:   0.09090909
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Ig lambda-1 chain V regions MOPC 104E/RPC20/J558/S104 P01724 (LV1B_MOUSE) Mus musculus 1DL7 Kd : 320.0 nM PDBBind SHOW
Ig lambda-1 chain V regions MOPC 104E/RPC20/J558/S104 P01724 (LV1B_MOUSE) Mus musculus 1DL7 Kd : 320.0 nM Binding MOAD SHOW