UCSF

ZINC26574567

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 33 Yes

Popular Name: SB 277011A SB 277011A

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1226917-67-4 , [1226917-67-4]

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) 4.27 11.1 -16.89 1 5 0 69 438.575 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DRD3-1-E Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 4 0.36 Binding ≤ 10μM
KCNH2-5-E HERG (cluster #5 Of 5), Eukaryotic Eukaryotes 1995 0.24 Binding ≤ 10μM
DRD2-17-E Dopamine D2 Receptor (cluster #17 Of 24), Eukaryotic Eukaryotes 2820 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 398.107171 0.27 Binding ≤ 1μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 11.2 0.34 Binding ≤ 1μM
DRD3_RAT P19020 Dopamine D3 Receptor, Rat 10.7 0.34 Binding ≤ 1μM
DRD2_RAT P61169 Dopamine D2 Receptor, Rat 2820 0.24 Binding ≤ 10μM
DRD2_HUMAN P14416 Dopamine D2 Receptor, Human 1050 0.25 Binding ≤ 10μM
DRD3_HUMAN P35462 Dopamine D3 Receptor, Human 11.2 0.34 Binding ≤ 10μM
DRD3_RAT P19020 Dopamine D3 Receptor, Rat 10.7 0.34 Binding ≤ 10μM
KCNH2_HUMAN Q12809 HERG, Human 1995.26231 0.24 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Dopamine receptors
G alpha (i) signalling events
Voltage gated Potassium channels

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