DrugDomain logoDrugDomain

Attributes

UniProt ID
C0HK49
Protein Name
Defensin NsD7
Ligand Name
[(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate
DrugBank ID
None
PDB Ligand Accession
PIO
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
XLNCEHRXXWQMPK-MJUMVPIBSA-N
SMILES
CCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCCCCC
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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

Mol*
Structure: 5VYP
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Color Legend
Unassigned regionsLigand / hetero atomse5vypA1e5vypB1e5vypC1e5vypD1e5vypE1e5vypF1e5vypG1e5vypH1e5vypI1e5vypJ1e5vypK1e5vypL1e5vypM1e5vypN1e5vypO1e5vypP1e5vypQ1e5vypR1e5vypS1e5vypT1e5vypU1e5vypV1e5vypW1e5vypX1
ECOD domains from experimental PDB structures interacting with ligand PIO
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
C0HK49n/aPIO5vype5vypA1A:1-47
C0HK49n/aPIO5vype5vypB1B:0-47
C0HK49n/aPIO5vype5vypC1C:0-47
C0HK49n/aPIO5vype5vypD1D:0-47
C0HK49n/aPIO5vype5vypE1E:0-47
C0HK49n/aPIO5vype5vypF1F:0-47
C0HK49n/aPIO5vype5vypG1G:0-47
C0HK49n/aPIO5vype5vypH1H:0-47
C0HK49n/aPIO5vype5vypI1I:0-47
C0HK49n/aPIO5vype5vypJ1J:0-47
C0HK49n/aPIO5vype5vypK1K:0-46
C0HK49n/aPIO5vype5vypL1L:2-46
C0HK49n/aPIO5vype5vypM1M:1-47
C0HK49n/aPIO5vype5vypN1N:1-47
C0HK49n/aPIO5vype5vypO1O:0-47
C0HK49n/aPIO5vype5vypP1P:0-47
C0HK49n/aPIO5vype5vypQ1Q:0-47
C0HK49n/aPIO5vype5vypR1R:0-47
C0HK49n/aPIO5vype5vypS1S:0-47
C0HK49n/aPIO5vype5vypT1T:0-47
C0HK49n/aPIO5vype5vypU1U:0-47
C0HK49n/aPIO5vype5vypV1V:0-47
C0HK49n/aPIO5vype5vypW1W:0-47
C0HK49n/aPIO5vype5vypX1X:0-47