Attributes
UniProt ID
Protein Name
clade A/E 93TH057 HIV-1 gp120 core
Ligand Name
N-(4-chloro-3-fluorophenyl)-N'-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-ylmethyl]ethanediamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
REQBBGSBIRNOFT-MRXNPFEDSA-N
SMILES
c1ccc2c(c1)CCNC2CNC(=O)C(=O)Nc3ccc(c(c3)F)Cl
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 4DVT
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Color Legend
Unassigned regionsLigand / hetero atomse4dvtA1e4dvtA2e4dvtB1e4dvtB2
ECOD domains from experimental PDB structures interacting with ligand 0LZ
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| A0A0M3KKW9 | n/a | 0LZ | 4dvt | e4dvtA1 | A:44-255,A:474-492 |
| A0A0M3KKW9 | n/a | 0LZ | 4dvt | e4dvtA2 | A:256-473 |
| A0A0M3KKW9 | n/a | 0LZ | 4dvt | e4dvtB1 | B:256-473 |
| A0A0M3KKW9 | n/a | 0LZ | 4dvt | e4dvtB2 | B:44-255,B:474-492 |