DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
peptidylprolyl isomerase
Ligand Name
(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,22R,26aS)-8-ethyl-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
ZDQSOHOQTUFQEM-NURRSENYSA-N
SMILES
CCC1C=C(CC(CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC1=O)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC)C)C
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 7U0T
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Color Legend
Unassigned regionsLigand / hetero atomse7u0tB1
ECOD domains from experimental PDB structures interacting with ligand KXX
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
Q0VDC6n/aKXX7u0te7u0tB1B:1-107