UCSF

ZINC04393163

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2005 45 No

Popular Name: N-[2-(1-acetyl-4-piperidyl)ethyl]-5-amino-4-hydroxy-2-isopropyl-7-[[2-(4-methoxybutoxy)benzoyl]amino N-[2-(1-acetyl-4-piperidyl)ethyl…

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Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.19 10.03 -69.39 6 10 1 145 633.895 20 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
RENI-1-E Renin (cluster #1 Of 1), Eukaryotic Eukaryotes 0 0.00 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
RENI_HUMAN P00797 Renin, Human 0.3 0.30 Binding ≤ 1μM
RENI_HUMAN P00797 Renin, Human 0.3 0.30 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Metabolism of Angiotensinogen to Angiotensins

Analogs ( Draw Identity 99% 90% 80% 70% )