Ligand

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Ligand Name:   2-(3-oxidanylpropylamino)pyridine-4-carboxylic acid
HET ID:   CQZ PubChem:   53408821
DrugBank:   - ChEMBL:   -
Canonical SMILES:   OCCCNc1nccc(c1)C(=O)O
Standard InChI:   InChI=1S/C9H12N2O3/c12-5-1-3-10-8-6-7(9(13)14)2-4-11-8/h2,4,6,12H,1,3,5H2,(H,10,11)(H,13,14)
Molecular Formula:   C9H12N2O3 Mol. Weight:   196.20319 Heavy Atoms:   14
Charge:   0 Is Chiral:   False logP:   0.6471
HBD:   3 HBA:   5 TPSA:   82.45
#Bonds:   14 #Rotatable Bonds:   5 Shape Complexity:   0.33333334
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 6F5R
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