UCSF

ZINC26670129

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2009 37 No

Popular Name: phosphoramidon phosphoramidon

Find On: PubMed — Wikipedia — Google

CAS Number: 36357-77-4

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) -1.56 -1.57 -111.49 6 13 -2 220 541.494 11 ↓
Lo Low (pH 4.5-6) -1.56 -0.31 -60.51 7 13 -1 221 542.502 11 ↓

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 800 0.23 Binding ≤ 10μM
NEP-2-E Neprilysin (cluster #2 Of 2), Eukaryotic Eukaryotes 6 0.31 Binding ≤ 10μM
THER-1-B Thermolysin (cluster #1 Of 3), Bacterial Bacteria 33 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ECE1_HUMAN P42892 Endothelin-converting Enzyme 1, Human 0.8 0.34 Binding ≤ 1μM
NEP_HUMAN P08473 Neprilysin, Human 0.4 0.36 Binding ≤ 1μM
NEP_RAT P07861 Neprilysin, Rat 0.6 0.35 Binding ≤ 1μM
THER_BACTH P00800 Thermolysin, Bacth 28 0.29 Binding ≤ 1μM
ECE1_HUMAN P42892 Endothelin-converting Enzyme 1, Human 0.8 0.34 Binding ≤ 10μM
ECE1_BOVIN P42891 Endothelin-converting Enzyme 1, Bovin 3100 0.21 Binding ≤ 10μM
NEP_HUMAN P08473 Neprilysin, Human 0.4 0.36 Binding ≤ 10μM
NEP_RAT P07861 Neprilysin, Rat 0.6 0.35 Binding ≤ 10μM
THER_BACTH P00800 Thermolysin, Bacth 28 0.29 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Metabolism of Angiotensinogen to Angiotensins

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

No pre-computed analogs available. Try a structural similarity search.