Ligand name: 1,1,1-trifluoro-2-methylpropan-2-yl [(2R,6S,12Z,13aS,14aR,16aS)-2-{[6-methoxy-3-(trifluoromethyl)quinoxalin-2-yl]oxy}-14a-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl]carbamate
PDB ligand accession: XSS
DrugBank: n/a
PubChem:
156587352
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ChEMBL: n/a
InChI Key: OJOOKWRLZOVJGU-SFBXLYIVSA-N
SMILES: CC1(CC1)S(=O)(=O)NC(=O)C23CC2C=CCCCCCC(C(=O)N4CC(CC4C(=O)N3)Oc5c(nc6cc(ccc6n5)OC)C(F)(F)F)NC(=O)OC(C)(C)C(F)(F)F
List of proteins that are targets for XSS
# |
DrugDomain Data |
UniProt Accession |
Drug Action |
Affinity data |
1
|
A8DG50_XSS
|
A8DG50
|
n/a
|
|