UCSF

ZINC03874679

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 37 No

Popular Name: 2-[2-[hydroxy-(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-phosphoryl]amino-4-methyl-pentanoy 2-[2-[hydroxy-(3,4,5-trihydroxy-…

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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) -1.75 -9.74 -114.97 6 13 -2 216 541.494 11 ↓

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 5 0.31 Binding ≤ 10μM
ECE1-1-E Endothelin-converting Enzyme 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 690 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACE_HUMAN P12821 Angiotensin-converting Enzyme, Human 5.01187234 0.31 Binding ≤ 1μM
ECE1_RAT P42893 Endothelin-converting Enzyme 1, Rat 690 0.23 Binding ≤ 1μM
ACE_HUMAN P12821 Angiotensin-converting Enzyme, Human 5.01187234 0.31 Binding ≤ 10μM
ECE1_RAT P42893 Endothelin-converting Enzyme 1, Rat 690 0.23 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Metabolism of Angiotensinogen to Angiotensins

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