Attributes
UniProt ID
Protein Name
clade A/E 93TH057 HIV-1 gp120 core
Ligand Name
N-{[(4S,5S)-5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl}-N'-(4-chloro-3-fluorophenyl)ethanediamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
KUDYRECLZBUMDK-RYUDHWBXSA-N
SMILES
CC1(OC(C(O1)CNC(=O)C(=O)Nc2ccc(c(c2)F)Cl)CN)C
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 4DVV
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Color Legend
Unassigned regionsLigand / hetero atomse4dvvA1e4dvvA2e4dvvB1e4dvvB2
ECOD domains from experimental PDB structures interacting with ligand 0M1
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| A0A0M3KKW9 | n/a | 0M1 | 4dvv | e4dvvA1 | A:256-473 |
| A0A0M3KKW9 | n/a | 0M1 | 4dvv | e4dvvA2 | A:44-255,A:474-492 |
| A0A0M3KKW9 | n/a | 0M1 | 4dvv | e4dvvB1 | B:44-255,B:474-492 |
| A0A0M3KKW9 | n/a | 0M1 | 4dvv | e4dvvB2 | B:256-473 |