DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
clade A/E 93TH057 HIV-1 gp120 core
Ligand Name
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
DrugBank ID
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
JKMHFZQWWAIEOD-UHFFFAOYSA-N
SMILES
C1CN(CCN1CCO)CCS(=O)(=O)O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 4DVS
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Color Legend
Unassigned regionsLigand / hetero atomse4dvsA1e4dvsA2e4dvsB1e4dvsB2
ECOD domains from experimental PDB structures interacting with ligand DB16872
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
A0A0M3KKW9DB16872EPE4dvse4dvsA1A:44-255,A:474-492
A0A0M3KKW9DB16872EPE4dvse4dvsB2B:44-255,B:474-492
A0A0M3KKW9DB16872EPE4dvte4dvtA1A:44-255,A:474-492
A0A0M3KKW9DB16872EPE4dvte4dvtB2B:44-255,B:474-492
A0A0M3KKW9DB16872EPE4dvve4dvvA2A:44-255,A:474-492
A0A0M3KKW9DB16872EPE4dvve4dvvB1B:44-255,B:474-492
A0A0M3KKW9DB16872EPE4dvwe4dvwA1A:44-255,A:474-492
A0A0M3KKW9DB16872EPE4dvwe4dvwB2B:44-255,B:474-492
A0A0M3KKW9DB16872EPE4dvxe4dvxA1A:44-255,A:474-492
A0A0M3KKW9DB16872EPE4dvxe4dvxB2B:44-255,B:474-492
A0A0M3KKW9DB16872EPE4s1se4s1sG2G:44-255,G:474-492
A0A0M3KKW9DB16872EPE5f96e5f96G2G:44-255,G:474-492
A0A0M3KKW9DB16872EPE5f9oe5f9oG1G:256-473
A0A0M3KKW9DB16872EPE5te6e5te6G2G:256-473
A0A0M3KKW9DB16872EPE5u6ee5u6eA1A:44-255,A:474-492
A0A0M3KKW9DB16872EPE5u6ee5u6eB1B:44-255,B:474-492
A0A0M3KKW9DB16872EPE5ueme5uemG1G:256-473
A0A0M3KKW9DB16872EPE6onee6oneA2A:43-255,A:474-491
A0A0M3KKW9DB16872EPE6onfe6onfA1A:43-255,A:474-492
A0A0M3KKW9DB16872EPE6onhe6onhA1A:43-255,A:474-491
A0A0M3KKW9DB16872EPE6onve6onvA1A:44-255,A:474-491
A0A0M3KKW9DB16872EPE6oooe6oooA1A:43-255,A:474-492
A0A0M3KKW9DB16872EPE6p9ne6p9nA1A:43-255,A:474-492
A0A0M3KKW9DB16872EPE6uswe6uswA1A:43-255,A:474-492
A0A0M3KKW9DB16872EPE6ut1e6ut1A1A:44-255,A:474-492
A0A0M3KKW9DB16872EPE6utbe6utbA2A:42-255,A:474-492
A0A0M3KKW9DB16872EPE6utde6utdA2A:44-255,A:474-492
A0A0M3KKW9DB16872EPE7sx7e7sx7A2A:256-473
A0A0M3KKW9DB16872EPE7sx7e7sx7G1G:43-255,G:474-492
A0A0M3KKW9DB16872EPE8dcqe8dcqA1A:43-255,A:474-492
A0A0M3KKW9DB16872EPE8gcze8gczA2A:43-255,A:474-491
A0A0M3KKW9DB16872EPE8gd0e8gd0A2A:44-255,A:474-492
A0A0M3KKW9DB16872EPE8gd1e8gd1A1A:43-255,A:474-492
A0A0M3KKW9DB16872EPE8gd3e8gd3A1A:43-255,A:474-492
A0A0M3KKW9DB16872EPE8gd5e8gd5A2A:44-255,A:474-492
A0A0M3KKW9DB16872EPE8gjte8gjtA2A:45-255,A:474-492