Ligand

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Ligand Name:   1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE
HET ID:   1PC PubChem:   6468
DrugBank:   DB03575 ChEMBL:   CHEMBL275528
Canonical SMILES:   C1CCC(CC1)(N1CCCCC1)c1ccccc1
Standard InChI:   InChI=1S/C17H25N/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2
Molecular Formula:   C17H25N Mol. Weight:   243.3871 Heavy Atoms:   18
Charge:   0 Is Chiral:   False logP:   4.2698
HBD:   0 HBA:   1 TPSA:   3.24
#Bonds:   20 #Rotatable Bonds:   2 Shape Complexity:   0.64705884
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Monoclonal 6B5 Fab None () Mus musculus 2PCP Kd : 2.0 nM, Kd : 2.0 nM Binding MOAD SHOW