Attributes
UniProt ID
Protein Name
Nitric oxide synthase 1
Ligand Name
N-{(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
PUOKPLCASUFBAN-XLIONFOSSA-N
SMILES
Cc1cc(nc(c1)N)CC2CNCC2NCCNCCc3cccc(c3)F
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 3JWT
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Color Legend
Unassigned regionsLigand / hetero atomse3jwtA1e3jwtB1
ECOD domains from experimental PDB structures interacting with ligand JI5
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| P29476 | n/a | JI5 | 3jwt | e3jwtA1 | A:299-716 |
| P29476 | n/a | JI5 | 3jwt | e3jwtB1 | B:299-718 |
| P29476 | n/a | JI5 | 3jx1 | e3jx1A1 | A:299-716 |
| P29476 | n/a | JI5 | 3jx1 | e3jx1B1 | B:299-717 |
| P29476 | n/a | JI5 | 3jx3 | e3jx3A1 | A:299-716 |
| P29476 | n/a | JI5 | 3jx3 | e3jx3B1 | B:299-718 |
| P29476 | n/a | JI5 | 3jx6 | e3jx6A1 | A:299-716 |
| P29476 | n/a | JI5 | 3jx6 | e3jx6B1 | B:299-718 |