Attributes
UniProt ID
Protein Name
Nitric oxide synthase 3
Ligand Name
2-{2-[3-(2-CARBAMIMIDOYLSULFANYL-ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA
DrugBank ID
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
YEUSLPIIQGZHQB-UHFFFAOYSA-N
SMILES
[H]N=C(N)SCCc1cccc(c1)CCSC(=N)N
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
Interactive Mol* view for the current protein-molecule pair.
Structure: P29474_F1
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Color Legend
Unassigned regionsLigand / hetero atomsnD1nD2nD3nD4nD5
ECOD domains from AlphaFold model interacting with ligand DB03910
| UniProt | DrugBank | PDB Ligand | ECOD Domain | Range Definition |
|---|---|---|---|---|
| P29474 | DB03910 | 3BT | nD1 | 66-480 |
| P29474 | DB03910 | 3BT | nD2 | 516-615, 641-725, 516-615, 641-725, 516-615, 641-725, 516-615, 641-725, 516-615, 641-725, 516-615, 641-725, 516-615, 641-725, 516-615, 641-725, 516-615, 641-725, 516-615, 641-725, 516-615, 641-725, 516-615, 641-725, 516-615, 641-725, 516-615, 641-725, 516-615, 641-725, 516-615, 641-725, 516-615, 641-725, 516-615, 641-725, 516-615, 641-725, 516-615, 641-725, 516-615, 641-725, 516-615, 641-725, 516-615, 641-725, 516-615, 641-725, 516-615, 641-725, 516-615, 641-725, 516-615, 641-725, 516-615, 641-725, 516-615, 641-725, 516-615, 641-725, 516-615, 641-725, 516-615, 641-725, 516-615, 641-725, 516-615, 641-725, 516-615, 641-725, 516-615, 641-725, 516-615, 641-725, 516-615,641-725 |
| P29474 | DB03910 | 3BT | nD3 | 726-805, 936-995, 726-805, 936-995, 726-805, 936-995, 726-805, 936-995, 726-805, 936-995, 726-805, 936-995, 726-805, 936-995, 726-805, 936-995, 726-805, 936-995, 726-805, 936-995, 726-805, 936-995, 726-805, 936-995, 726-805, 936-995, 726-805, 936-995, 726-805, 936-995, 726-805, 936-995, 726-805, 936-995, 726-805, 936-995, 726-805, 936-995, 726-805, 936-995, 726-805, 936-995, 726-805, 936-995, 726-805, 936-995, 726-805, 936-995, 726-805, 936-995, 726-805, 936-995, 726-805, 936-995, 726-805, 936-995, 726-805, 936-995, 726-805, 936-995, 726-805, 936-995, 726-805, 936-995, 726-805, 936-995, 726-805, 936-995, 726-805, 936-995, 726-805, 936-995, 726-805, 936-995, 726-805,936-995 |
| P29474 | DB03910 | 3BT | nD4 | 806-935 |
| P29474 | DB03910 | 3BT | nD5 | 996-1185 |