DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Nitric oxide synthase 1
Ligand Name
N',N'-{[(2R)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
KEUPBLDQGUHFOB-HSZRJFAPSA-N
SMILES
c1cc(cc(c1)NC(=N)c2cccs2)COCC(CN)OCc3cccc(c3)N=C(c4cccs4)N
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 4UPM
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Color Legend
Unassigned regionsLigand / hetero atomse4upmA1e4upmB1
ECOD domains from experimental PDB structures interacting with ligand I5U
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P29476n/aI5U4upme4upmA1A:299-717
P29476n/aI5U4upme4upmB1B:299-718