UCSF

ZINC00777985

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 14 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) 0.71 3.35 -12.95 1 4 0 55 205.242 2
Hi High (pH 8-9.5) 0.78 1.79 -52 0 4 -1 61 204.234 2

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPM1-2-E Methionine Aminopeptidase 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 8100 0.51 Binding ≤ 10μM
CTR4-1-E Cationic Amino Acid Transporter 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 7000 0.52 Binding ≤ 10μM
AMPM-2-B Methionine Aminopeptidase (cluster #2 Of 3), Bacterial Bacteria 5000 0.53 Binding ≤ 10μM
AMPM1-1-F Methionine Aminopeptidase 1 (cluster #1 Of 1), Fungal Fungi 7000 0.52 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CTR4_HUMAN O43246 Cationic Amino Acid Transporter 4, Human 5000 0.53 Binding ≤ 10μM
AMPM_ECOLI P0AE18 Methionine Aminopeptidase, Ecoli 5000 0.53 Binding ≤ 10μM
AMPM1_YEAST Q01662 Methionine Aminopeptidase 1, Yeast 7000 0.52 Binding ≤ 10μM
AMPM1_HUMAN P53582 Methionine Aminopeptidase 1, Human 8100 0.51 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% )