UCSF

ZINC05819379

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 15 Yes

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) 1.30 3.02 -43.8 0 4 -1 53 195.205 1
Hi High (pH 8-9.5) 1.30 3.34 -9.09 1 4 0 54 196.213 1
Mid Mid (pH 6-8) 1.30 3.87 -29.49 2 4 1 56 197.221 1
Lo Low (pH 4.5-6) 1.30 4.16 -93.13 3 4 2 57 198.229 1

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPM2-2-E Methionine Aminopeptidase 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 8000 0.48 Binding ≤ 10μM
AMPM-1-B Methionine Aminopeptidase (cluster #1 Of 3), Bacterial Bacteria 550 0.58 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPM_ECOLI P0AE18 Methionine Aminopeptidase, Ecoli 550 0.58 Binding ≤ 1μM
AMPM_ECOLI P0AE18 Methionine Aminopeptidase, Ecoli 550 0.58 Binding ≤ 10μM
AMPM2_HUMAN P50579 Methionine Aminopeptidase 2, Human 8000 0.48 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Inactivation, recovery and regulation of the phototransduction cascade

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