DrugDomain logoDrugDomain

(2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide

P11838 — Endothiapepsin

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Attributes

UniProt ID
P11838
Protein Name
Endothiapepsin
Ligand Name
(2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide
DrugBank ID
DB01232
PDB Ligand Accession
ROC
ChEMBL ID
CHEMBL114
PubChem ID
441243
InChIKey
QWAXKHKRTORLEM-UGJKXSETSA-N
SMILES
CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(C(Cc3ccccc3)NC(=O)C(CC(=O)N)NC(=O)c4ccc5ccccc5n4)O
Drug Action
no_target_action
Affinity Metrics