Ligand
Ligand Name:   propyl (3S)-4-[(6R)-6-(aminomethyl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl]-3-methylpiperazine-1-carboxylate
Ligand Type:   non-polymer
Ligand ID:   COVPDB407 PubChem:   -
Synonym(s):   -
DrugBank:   - ChEMBL:   -
Canonical SMILES:   CCCOC(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2c(Cl)c3CC[C@@H](CN)Cc3nc2c1
Standard InChI:   InChI=1S/C24H31ClN4O3/c1-3-10-32-24(31)28-8-9-29(15(2)14-28)23(30)17-5-7-19-21(12-17)27-20-11-16(13-26)4-6-18(20)22(19)25/h5,7,12,15-16H,3-4,6,8-11,13-14,26H2,1-2H3/t15-,16+/m0/s1
Molecular Formula:   C24H31ClN4O3 Mol. Weight:   458.20847 logP:   3.6447
HBD:   1 HBA:   5
#Rotatable Bonds:   4 TPSA:   88.76

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Histone-lysine N-methyltransferase SMYD3 Q9H7B4 (SMYD3_HUMAN) Homo sapiens (Human) 5YJO 8W0
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