Ligand

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Ligand Name:   5-bromo-2-[(3R)-piperidin-3-ylamino]benzoic acid
HET ID:   AJD PubChem:   44216754, 72200048
DrugBank:   - ChEMBL:   CHEMBL1230918
Canonical SMILES:   Brc1ccc(c(c1)C(=O)O)N[C@@H]1CCCNC1
Standard InChI:   InChI=1S/C12H15BrN2O2/c13-8-3-4-11(10(6-8)12(16)17)15-9-2-1-5-14-7-9/h3-4,6,9,14-15H,1-2,5,7H2,(H,16,17)/t9-/m1/s1
Molecular Formula:   C12H15BrN2O2 Mol. Weight:   299.1637 Heavy Atoms:   17
Charge:   0 Is Chiral:   True logP:   2.713
HBD:   3 HBA:   4 TPSA:   61.36
#Bonds:   19 #Rotatable Bonds:   3 Shape Complexity:   0.41666666
Stereocomplexity:   0.083333336
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Phenazine biosynthesis protein A/B Q396C9 (Q396C9_BURL3) Burkholderia lata 3JUO Kd : 8550.0 nM PDBBind SHOW
Phenazine biosynthesis protein A/B Q396C9 (Q396C9_BURL3) Burkholderia lata 3JUO Kd : 8550.0 nM Binding MOAD SHOW
Phenazine biosynthesis protein A/B Q396C9 (Q396C9_BURL3) Burkholderia lata 3JUQ Kd : 8550.0 nM Binding MOAD SHOW
Phenazine biosynthesis protein A/B Q396C9 (Q396C9_BURL3) Burkholderia lata 3JUN Kd : 8550.0 nM Binding MOAD SHOW