UCSF

ZINC03820336

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 26 No

Popular Name: USAN) USAN)

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CAS Number: 160135-92-2

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) 0.92 -1.08 -67.14 1 6 -1 89 377.486 6 ↓
Hi High (pH 8-9.5) 0.92 -2.03 -116.66 1 6 -2 89 376.478 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACE-1-E Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic Eukaryotes 12 0.43 Binding ≤ 10μM
ACE-1-E Angiotensin-converting Enzyme (cluster #1 Of 1), Eukaryotic Eukaryotes 12 0.43 Binding ≤ 10μM
NEP-2-E Neprilysin (cluster #2 Of 2), Eukaryotic Eukaryotes 63 0.39 Binding ≤ 10μM
NEP-2-E Neprilysin (cluster #2 Of 2), Eukaryotic Eukaryotes 63 0.39 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACE_HUMAN P12821 Angiotensin-converting Enzyme, Human 12 0.43 Binding ≤ 1μM
NEP_RAT P07861 Neprilysin, Rat 63 0.39 Binding ≤ 1μM
ACE_HUMAN P12821 Angiotensin-converting Enzyme, Human 12 0.43 Binding ≤ 10μM
NEP_RAT P07861 Neprilysin, Rat 63 0.39 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Metabolism of Angiotensinogen to Angiotensins

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