DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Gag polyprotein
Ligand Name
N-[(1S)-1-(3-{4-chloro-3-[(methanesulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl}-6-[3-(methanesulfonyl)-3-methylbut-1-yn-1-yl]pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
FXHBLOHBFKIEOL-LJAQVGFWSA-N
SMILES
CC(C)(C#Cc1ccc(c(n1)C(Cc2cc(cc(c2)F)F)NC(=O)Cn3c4c(c(n3)C(F)(F)F)CCCC4)c5ccc(c6c5n(nc6NS(=O)(=O)C)CC(F)(F)F)Cl)S(=O)(=O)C
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

Interactive Mol* view for the current protein-molecule pair.

Structure: 7RMJ
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Color Legend
Unassigned regionsLigand / hetero atomse7rmjA1e7rmjA2e7rmjB1e7rmjB2e7rmjC1e7rmjC2
ECOD domains from experimental PDB structures interacting with ligand 61F
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
B6DRA0n/a61F7rmje7rmjA1A:1-147
B6DRA0n/a61F7rmje7rmjB2B:1-145
B6DRA0n/a61F7rmje7rmjC1C:1-145