UCSF

ZINC30691809

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2009 32 Yes

Popular Name: SB-689A SB-689A

Find On: PubMed — Wikipedia — Google

CAS Number: 702686-96-2

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) 4.51 10.77 -71.02 3 5 0 86 447.522 11 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CASR-1-E Calcium Sensing Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 320 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 146 0.30 Binding ≤ 1μM
CASR_RAT P48442 Calcium Sensing Receptor, Rat 320 0.28 Binding ≤ 1μM
CASR_RAT P48442 Calcium Sensing Receptor, Rat 320 0.28 Binding ≤ 10μM
CASR_HUMAN P41180 Calcium Sensing Receptor, Human 146 0.30 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Class C/3 (Metabotropic glutamate/pheromone receptors)
G alpha (i) signalling events
G alpha (q) signalling events

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

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