UCSF

ZINC60291636

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2011 44 No

Popular Name: bq-123 bq-123

Find On: PubMed — Wikipedia — Google

Other Names:

DNC000342

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) 0.53 8.93 -70.77 5 13 -1 193 609.704 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
EDNRA-1-E Endothelin Receptor ET-A (cluster #1 Of 3), Eukaryotic Eukaryotes 22 0.24 Binding ≤ 10μM
EDNRB-1-E Endothelin B Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 7000 0.16 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
EDNRA_PIG Q29010 Endothelin Receptor ET-A, Pig 22 0.24 Binding ≤ 1μM
EDNRA_RAT P26684 Endothelin Receptor ET-A, Rat 14 0.25 Binding ≤ 1μM
EDNRA_HUMAN P25101 Endothelin Receptor ET-A, Human 18 0.25 Binding ≤ 1μM
EDNRA_PIG Q29010 Endothelin Receptor ET-A, Pig 22 0.24 Binding ≤ 10μM
EDNRA_RAT P26684 Endothelin Receptor ET-A, Rat 14 0.25 Binding ≤ 10μM
EDNRA_HUMAN P25101 Endothelin Receptor ET-A, Human 18 0.25 Binding ≤ 10μM
EDNRB_RAT P21451 Endothelin Receptor ET-B, Rat 7000 0.16 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (q) signalling events
Peptide ligand-binding receptors

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

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