UCSF

ZINC36215325

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 35 No

Popular Name: SNAP-398299 SNAP-398299

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) 6.13 14.15 -45.48 1 5 1 48 480.51 7 ↓
Hi High (pH 8-9.5) 6.13 11.94 -10.77 0 5 0 47 479.502 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ADA1A-1-E Alpha-1a Adrenergic Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 78 0.28 Binding ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 939 0.24 Binding ≤ 10μM
GALR3-1-E Galanin Receptor 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 5 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ADA1A_HUMAN P35348 Alpha-1a Adrenergic Receptor, Human 78 0.28 Binding ≤ 1μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 939 0.24 Binding ≤ 1μM
GALR3_HUMAN O60755 Galanin Receptor 3, Human 5 0.33 Binding ≤ 1μM
ADA1A_HUMAN P35348 Alpha-1a Adrenergic Receptor, Human 78 0.28 Binding ≤ 10μM
DRD5_HUMAN P21918 Dopamine D5 Receptor, Human 939 0.24 Binding ≤ 10μM
GALR3_HUMAN O60755 Galanin Receptor 3, Human 5 0.33 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Adrenoceptors
Dopamine receptors
G alpha (12/13) signalling events
G alpha (i) signalling events
G alpha (q) signalling events
G alpha (s) signalling events
Peptide ligand-binding receptors

Rings

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

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