Attributes
UniProt ID
Protein Name
clade A/E 93TH057 HIV-1 gp120 core
Ligand Name
N-{(1S)-2-amino-1-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]ethyl}-5-(4-chloro-3-fluorophenyl)-1H-pyrrole-2-carboxamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
TYOUIZRAPWQCSE-HNNXBMFYSA-N
SMILES
Cc1c(sc(n1)C(CN)NC(=O)c2ccc([nH]2)c3ccc(c(c3)F)Cl)CO
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 5U6E
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Color Legend
Unassigned regionsLigand / hetero atomse5u6eA1e5u6eA2e5u6eB1e5u6eB2
ECOD domains from experimental PDB structures interacting with ligand 82M
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| A0A0M3KKW9 | n/a | 82M | 5u6e | e5u6eA1 | A:44-255,A:474-492 |
| A0A0M3KKW9 | n/a | 82M | 5u6e | e5u6eA2 | A:256-473 |
| A0A0M3KKW9 | n/a | 82M | 5u6e | e5u6eB1 | B:44-255,B:474-492 |
| A0A0M3KKW9 | n/a | 82M | 5u6e | e5u6eB2 | B:256-473 |