DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Spike glycoprotein
Ligand Name
[(2~{S})-2-[[4-(2-azanylethanoylamino)-7-[[(2~{S})-3-[2-(4-nitrophenyl)sulfanyl-1~{H}-indol-3-yl]-1-oxidanylidene-1-sodiooxy-propan-2-yl]amino]-4-[3-[[(2~{S})-3-[2-(4-nitrophenyl)sulfanyl-1~{H}-indol-3-yl]-1-oxidanylidene-1-sodiooxy-propan-2-yl]amino]-3-oxidanylidene-propyl]-7-oxidanylidene-heptanoyl]amino]-3-[2-(4-nitrophenyl)sulfanyl-1~{H}-indol-3-yl]propanoyl]oxysodium
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
OJDYQRNEDPEFMJ-VPMCDZTMSA-N
SMILES
c1ccc2c(c1)c(c([nH]2)Sc3ccc(cc3)[N+](=O)[O-])CC(C(=O)O)NC(=O)CCC(CCC(=O)NC(Cc4c5ccccc5[nH]c4Sc6ccc(cc6)[N+](=O)[O-])C(=O)O)(CCC(=O)NC(Cc7c8ccccc8[nH]c7Sc9ccc(cc9)[N+](=O)[O-])C(=O)O)NC(=O)CN
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 8P9Y
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Color Legend
Unassigned regionsLigand / hetero atomse8p9yA1e8p9yA2e8p9yA3e8p9yA4e8p9yB1e8p9yB2e8p9yB3e8p9yB4e8p9yC1e8p9yC2e8p9yC3e8p9yC4
ECOD domains from experimental PDB structures interacting with ligand XIO
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P0DTC2n/aXIO8p9ye8p9yA4A:329-529
P0DTC2n/aXIO8p9ye8p9yC4C:329-529