Attributes
UniProt ID
Protein Name
Nitric oxide synthase 1
Ligand Name
N-(4-{2-[(3-CHLOROBENZYL)AMINO]ETHYL}PHENYL)THIOPHENE-2-CARBOXIMIDAMIDE
DrugBank ID
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
ZZVGLDBDDYESAB-UHFFFAOYSA-N
SMILES
[H]N=C(c1cccs1)Nc2ccc(cc2)CCNCc3cccc(c3)Cl
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: P29475_F1
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Color Legend
Unassigned regionsLigand / hetero atomsnD2nD3nD4nD5nD6
ECOD domains from AlphaFold model interacting with ligand DB03449
| UniProt | DrugBank | PDB Ligand | ECOD Domain | Range Definition |
|---|---|---|---|---|
| P29475 | DB03449 | ARR | nD2 | 301-720 |
| P29475 | DB03449 | ARR | nD3 | 756-850, 876-960, 756-850, 876-960, 756-850, 876-960, 756-850, 876-960, 756-850, 876-960, 756-850, 876-960, 756-850, 876-960, 756-850, 876-960, 756-850, 876-960, 756-850, 876-960, 756-850, 876-960, 756-850, 876-960, 756-850, 876-960, 756-850, 876-960, 756-850, 876-960, 756-850, 876-960, 756-850, 876-960, 756-850, 876-960, 756-850, 876-960, 756-850, 876-960, 756-850,876-960 |
| P29475 | DB03449 | ARR | nD4 | 981-1045, 1176-1235, 981-1045, 1176-1235, 981-1045, 1176-1235, 981-1045, 1176-1235, 981-1045, 1176-1235, 981-1045, 1176-1235, 981-1045, 1176-1235, 981-1045, 1176-1235, 981-1045, 1176-1235, 981-1045, 1176-1235, 981-1045, 1176-1235, 981-1045, 1176-1235, 981-1045, 1176-1235, 981-1045, 1176-1235, 981-1045, 1176-1235, 981-1045, 1176-1235, 981-1045, 1176-1235, 981-1045, 1176-1235, 981-1045, 1176-1235, 981-1045, 1176-1235, 981-1045, 1176-1235, 981-1045,1176-1235 |
| P29475 | DB03449 | ARR | nD5 | 1046-1175 |
| P29475 | DB03449 | ARR | nD6 | 1236-1430 |