synpharm
A database of ligand-responsive protein sequences...

nintedanib

PEP - nintedanib
RCSB PDB Ligand - XIN
CAS Registry No. - 656247-17-5
ChEMBL Ligand - CHEMBL502835
PubChem CID - 9809715
Wikipedia - Nintedanib
DrugCentral Ligand - 4903
PubChem CID - 135423438
Reactome Drug - R-ALL-9616923
Reactome Reaction - R-HSA-9674430
Reactome Reaction - R-HSA-2077420
Reactome Reaction - R-HSA-9674095
Structure
Molecular Details
Molecular mass (Da) 539.25323
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Polar surface area (A2) 94.22
Lipinski rules broken 0
logP 4.975
Other Details
Ligand type Synthetic organic
Radiolabelled No
Approved Yes
Approval Source FDA (2014)
Responsive Sequences
kinase insert domain receptor (151 residues)