DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
n/a
Ligand Name
N-(1-fluorocyclopropane-1-carbonyl)-3-methyl-L-valyl-(4R)-N-{[2-{2-[4-({4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl}methyl)phenoxy]ethoxy}-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-4-hydroxy-L-prolinamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
IVARZBJJMMUJHI-SQKKEFIPSA-N
SMILES
Cc1c(scn1)c2ccc(c(c2)OCCOc3ccc(cc3)CN4CCN(CC4)c5cc(nnc5N)c6ccccc6O)CNC(=O)C7CC(CN7C(=O)C(C(C)(C)C)NC(=O)C8(CC8)F)O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 7S4E
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Color Legend
Unassigned regionsLigand / hetero atomse7s4eA1e7s4eB1e7s4eB2e7s4eC1e7s4eD1e7s4eE1e7s4eF1e7s4eF2e7s4eG1e7s4eH1
ECOD domains from experimental PDB structures interacting with ligand 87A
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P51531-2n/a87A7s4ee7s4eA1A:1376-1490
P51531-2n/a87A7s4ee7s4eE1E:1376-1490