UCSF

ZINC03981918

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2005 24 No

Popular Name: CGS 35066 CGS 35066

Find On: PubMed — Wikipedia — Google

CAS Number: 261619-50-5

Other Names:

MFCD09971085

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) 0.02 6.9 -124.68 2 7 -2 133 347.263 6 ↓
Lo Low (pH 4.5-6) 0.02 5.83 -52.09 3 7 -1 130 348.271 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ECE1-1-E Endothelin-converting Enzyme 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 22 0.45 Binding ≤ 10μM
ECE1-1-E Endothelin-converting Enzyme 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 22 0.45 Binding ≤ 10μM
NEP-1-E Neprilysin (cluster #1 Of 2), Eukaryotic Eukaryotes 2300 0.33 Binding ≤ 10μM
NEP-1-E Neprilysin (cluster #1 Of 2), Eukaryotic Eukaryotes 2300 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ECE1_HUMAN P42892 Endothelin-converting Enzyme 1, Human 22 0.45 Binding ≤ 1μM
ECE1_HUMAN P42892 Endothelin-converting Enzyme 1, Human 22 0.45 Binding ≤ 10μM
NEP_HUMAN P08473 Neprilysin, Human 2300 0.33 Binding ≤ 10μM
NEP_RAT P07861 Neprilysin, Rat 2300 0.33 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Metabolism of Angiotensinogen to Angiotensins

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