Ligand

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Ligand Name:   ~{N}-(3,3-diphenylpropyl)piperidin-4-amine
HET ID:   5UW PubChem:   133107882
DrugBank:   - ChEMBL:   -
Canonical SMILES:   N1CCC(CC1)NCCC(c1ccccc1)c1ccccc1
Standard InChI:   InChI=1S/C20H26N2/c1-3-7-17(8-4-1)20(18-9-5-2-6-10-18)13-16-22-19-11-14-21-15-12-19/h1-10,19-22H,11-16H2
Molecular Formula:   C20H26N2 Mol. Weight:   294.43384 Heavy Atoms:   22
Charge:   0 Is Chiral:   False logP:   4.2699
HBD:   2 HBA:   2 TPSA:   24.06
#Bonds:   24 #Rotatable Bonds:   6 Shape Complexity:   0.4
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
GTPase Hras P01112 (RASH_HUMAN) Homo sapiens 5WFR
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