Ligand

Download

Ligand Name:   3H-pyrido[3,4-d]pyrimidin-4-one
HET ID:   N5J PubChem:   135567106, 590102
DrugBank:   - ChEMBL:   CHEMBL3770256
Canonical SMILES:   O=c1[nH]cnc2c1ccnc2
Standard InChI:   InChI=1S/C7H5N3O/c11-7-5-1-2-8-3-6(5)9-4-10-7/h1-4H,(H,9,10,11)
Molecular Formula:   C7H5N3O Mol. Weight:   147.1341 Heavy Atoms:   11
Charge:   0 Is Chiral:   False logP:   0.3181
HBD:   1 HBA:   3 TPSA:   58.64
#Bonds:   13 #Rotatable Bonds:   0 Shape Complexity:   0.0
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Lysine-specific demethylase 4D Q6B0I6 (KDM4D_HUMAN) Homo sapiens 5FPA
-
-
SHOW