UCSF

ZINC26163167

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 26 No

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) 2.17 8.21 -37.73 1 6 1 54 360.478 5
Mid Mid (pH 6-8) 2.17 5.89 -11.54 0 6 0 53 359.47 5

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 660 0.33 Binding ≤ 10μM
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 660 0.33 Binding ≤ 10μM
DRD4-2-E Dopamine D4 Receptor (cluster #2 Of 4), Eukaryotic Eukaryotes 660 0.33 Binding ≤ 10μM
DRD5-1-E Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 660 0.33 Binding ≤ 10μM
Z104304-1-O Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other Other 895 0.33 Binding ≤ 10μM
DRD2-16-E Dopamine D2 Receptor (cluster #16 Of 24), Eukaryotic Eukaryotes 660 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104304 Z104304 Adrenergic Receptor Alpha-1 895 0.33 Binding ≤ 1μM
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 660 0.33 Binding ≤ 1μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 660 0.33 Binding ≤ 1μM
DRD3_RAT P19020 Dopamine D3 Receptor, Rat 660 0.33 Binding ≤ 1μM
DRD4_RAT P30729 Dopamine D4 Receptor, Rat 660 0.33 Binding ≤ 1μM
DRD5_RAT P25115 Dopamine D5 Receptor, Rat 660 0.33 Binding ≤ 1μM
Z104304 Z104304 Adrenergic Receptor Alpha-1 895 0.33 Binding ≤ 10μM
DRD1_RAT P18901 Dopamine D1 Receptor, Rat 660 0.33 Binding ≤ 10μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 660 0.33 Binding ≤ 10μM
DRD3_RAT P19020 Dopamine D3 Receptor, Rat 660 0.33 Binding ≤ 10μM
DRD4_RAT P30729 Dopamine D4 Receptor, Rat 660 0.33 Binding ≤ 10μM
DRD5_RAT P25115 Dopamine D5 Receptor, Rat 660 0.33 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine receptors
G alpha (i) signalling events

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