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Attributes

UniProt ID
Protein Name
Renin
Ligand Name
methyl (2-{(R)-(3-chlorophenyl)[(3R)-1-({(2S)-2-(methylamino)-3-[(3R)-tetrahydro-2H-pyran-3-yl]propyl}carbamoyl)piperidin-3-yl] methoxy}ethyl)carbamate
DrugBank ID
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
NXWASIVXQMMPLM-ZXMXYHOLSA-N
SMILES
CNC(CC1CCCOC1)CNC(=O)N2CCCC(C2)C(c3cccc(c3)Cl)OCCNC(=O)OC
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

Interactive Mol* view for the current protein-molecule pair.

Structure: 3Q4B
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Color Legend
Unassigned regionsLigand / hetero atomse3q4bA2e3q4bA3e3q4bB2e3q4bB3
ECOD domains from experimental PDB structures interacting with ligand DB12416
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P00797DB12416RX53q4be3q4bA2A:-2-174
P00797DB12416RX53q4be3q4bA3A:175-326
P00797DB12416RX53q4be3q4bB2B:-2-174
P00797DB12416RX53q4be3q4bB3B:175-326