DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Renin
Ligand Name
(2R,4S,5S)-5-amino-6-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-2-ethyl-4-hydroxy-N-[(1R,2S,3S,5S,7S)-5-hydroxytricyclo[3.3.1.1~3,7~]dec-2-yl]hexanamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
MGQQKSSUXHKDSK-PTMRNKDMSA-N
SMILES
CCC(CC(C(CN1CC(=O)N(CC1(C)C)c2ccccc2Cl)N)O)C(=O)NC3C4CC5CC3CC(C5)(C4)O
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

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Structure: 3VUC
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Color Legend
Unassigned regionsLigand / hetero atomse3vucA2e3vucA3e3vucB2e3vucB3
ECOD domains from experimental PDB structures interacting with ligand HHE
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P00797n/aHHE3vuce3vucA2A:1-185
P00797n/aHHE3vuce3vucA3A:186-340
P00797n/aHHE3vuce3vucB2B:1-185
P00797n/aHHE3vuce3vucB3B:186-340