DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
DNA damage-binding protein 1
Ligand Name
6-[[[2-[[(2~{R})-1-oxidanylbutan-2-yl]amino]-9-propan-2-yl-purin-6-yl]amino]methyl]-3-pyridin-2-yl-1~{H}-pyridin-2-one
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
ZZMGLCCXIBNSGN-OAHLLOKOSA-N
SMILES
CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCC3=CC=C(C(=O)N3)c4ccccn4
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

Interactive Mol* view for the current protein-molecule pair.

Structure: 8BUH
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Color Legend
Unassigned regionsLigand / hetero atomse8buhA1e8buhA2e8buhA3e8buhB1e8buhC1e8buhC2e8buhD1e8buhD2e8buhD3e8buhE1e8buhF1e8buhF2e8buhG1e8buhG2e8buhG3e8buhH1e8buhI1e8buhI2
ECOD domains from experimental PDB structures interacting with ligand RR9
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q16531n/aRR98buhe8buhA3A:356-1044
Q16531n/aRR98buhe8buhD1D:356-1044
Q16531n/aRR98buhe8buhG3G:356-1044