Attributes
UniProt ID
Protein Name
Nitric oxide synthase 1
Ligand Name
N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL]PYRROLIDIN-3-YL}-N'-(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE
DrugBank ID
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
JDRSQGJWTVRNGM-QFBILLFUSA-N
SMILES
Cc1cc(nc(c1)N)CC2CNCC2NCCNCc3ccc(cc3)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 DB08018
| UniProt | DrugBank | PDB Ligand | ECOD Domain | Range Definition |
|---|---|---|---|---|
| P29475 | DB08018 | JI3 | nD2 | 301-720 |
| P29475 | DB08018 | JI3 | 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 | DB08018 | JI3 | 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 | DB08018 | JI3 | nD5 | 1046-1175 |
| P29475 | DB08018 | JI3 | nD6 | 1236-1430 |