Ligand

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Ligand Name:   2-methyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
HET ID:   FDR PubChem:   2807595
DrugBank:   - ChEMBL:   CHEMBL1300272
Canonical SMILES:   Cc1nc2sc3c(c2c(=O)[nH]1)CCC3
Standard InChI:   InChI=1S/C10H10N2OS/c1-5-11-9(13)8-6-3-2-4-7(6)14-10(8)12-5/h2-4H2,1H3,(H,11,12,13)
Molecular Formula:   C10H10N2OS Mol. Weight:   206.2642 Heavy Atoms:   14
Charge:   0 Is Chiral:   False logP:   1.7817
HBD:   1 HBA:   3 TPSA:   73.99
#Bonds:   17 #Rotatable Bonds:   0 Shape Complexity:   0.4
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Protein mono-ADP-ribosyltransferase PARP14 Q460N5 (PAR14_HUMAN) Homo sapiens 3SMJ
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