UCSF

ZINC00403014

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 8 No

Popular Name: DNC012082 DNC012082

Find On: PubMed — Wikipedia — Google

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) 1.15 -1.82 -38.56 3 1 1 27 134.268 3 ↓
Hi High (pH 8-9.5) 1.15 -2.78 -33.97 3 1 0 27 133.26 3 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0745081A1; EP0750631B1; US5604221; US5731306; US5880119; WO1995021854A1; WO2000040564A1 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPN-1-E Aminopeptidase N (cluster #1 Of 5), Eukaryotic Eukaryotes 22 1.34 Binding ≤ 10μM
AMPN-1-E Aminopeptidase N (cluster #1 Of 5), Eukaryotic Eukaryotes 22 1.34 Binding ≤ 10μM
Z50425-6-O Plasmodium Falciparum (cluster #6 Of 22), Other Other 10000 0.88 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPN_PIG P15145 Aminopeptidase N, Pig 22 1.34 Binding ≤ 1μM
AMPN_HUMAN P15144 Aminopeptidase N, Human 22 1.34 Binding ≤ 1μM
AMPN_PIG P15145 Aminopeptidase N, Pig 22 1.34 Binding ≤ 10μM
AMPN_HUMAN P15144 Aminopeptidase N, Human 22 1.34 Binding ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 10000 0.88 Functional ≤ 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.