UCSF

ZINC08584336

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 7th, 2007 16 Yes

Popular Name: BRD-A85280935-003-01-7 BRD-A85280935-003-01-7

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) 2.37 6.37 -38.22 2 3 1 33 220.34 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 71 0.63 Binding ≤ 10μM
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 71 0.63 Binding ≤ 10μM
DRD4-3-E Dopamine D4 Receptor (cluster #3 Of 4), Eukaryotic Eukaryotes 71 0.63 Binding ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 71 0.63 Binding ≤ 10μM
DRD1-1-E Dopamine D1 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 240 0.58 Functional ≤ 10μM
DRD2-1-E Dopamine D2 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 240 0.58 Functional ≤ 10μM
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 240 0.58 Functional ≤ 10μM
DRD4-1-E Dopamine D4 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 240 0.58 Functional ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 240 0.58 Functional ≤ 10μM
DRD2-2-E Dopamine D2 Receptor (cluster #2 Of 24), Eukaryotic Eukaryotes 71 0.63 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 71 0.63 Binding ≤ 1μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 71 0.63 Binding ≤ 1μM
DRD3_RAT P19020 Dopamine D3 Receptor, Rat 71 0.63 Binding ≤ 1μM
DRD4_RAT P30729 Dopamine D4 Receptor, Rat 71 0.63 Binding ≤ 1μM
DRD5_RAT P25115 Dopamine D5 Receptor, Rat 71 0.63 Binding ≤ 1μM
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 10000 0.44 Binding ≤ 10μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 10000 0.44 Binding ≤ 10μM
DRD3_RAT P19020 Dopamine D3 Receptor, Rat 10000 0.44 Binding ≤ 10μM
DRD4_RAT P30729 Dopamine D4 Receptor, Rat 10000 0.44 Binding ≤ 10μM
DRD5_RAT P25115 Dopamine D5 Receptor, Rat 10000 0.44 Binding ≤ 10μM
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 240 0.58 Functional ≤ 10μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 240 0.58 Functional ≤ 10μM
DRD3_RAT P19020 Dopamine D3 Receptor, Rat 240 0.58 Functional ≤ 10μM
DRD4_RAT P30729 Dopamine D4 Receptor, Rat 240 0.58 Functional ≤ 10μM
DRD5_RAT P25115 Dopamine D5 Receptor, Rat 240 0.58 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine receptors
G alpha (i) signalling events

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