UCSF

ZINC14951060

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 13 Yes

Popular Name: 4-Bromohomoibotenic acid 4-Bromohomoibotenic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 71366-32-0 , 77006-30-5

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) -2.32 -0.63 -39.03 3 6 -1 112 250.028 3 ↓
Mid Mid (pH 6-8) -1.86 -2.26 -91.01 2 6 -2 115 249.02 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GRM1-2-E Metabotropic Glutamate Receptor 1 (cluster #2 Of 3), Eukaryotic Eukaryotes 150 0.73 Binding ≤ 10μM
GRM3-1-E Metabotropic Glutamate Receptor 3 (cluster #1 Of 1), Eukaryotic Eukaryotes 150 0.73 Binding ≤ 10μM
GRM7-1-E Metabotropic Glutamate Receptor 7 (cluster #1 Of 1), Eukaryotic Eukaryotes 150 0.73 Binding ≤ 10μM
GRM8-2-E Metabotropic Glutamate Receptor 8 (cluster #2 Of 2), Eukaryotic Eukaryotes 150 0.73 Binding ≤ 10μM
Q80T35-1-E Metabotropic Glutamate Receptor 6 (cluster #1 Of 1), Eukaryotic Eukaryotes 150 0.73 Binding ≤ 10μM
Q80T43-1-E Metabotropic Glutamate Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 150 0.73 Binding ≤ 10μM
Q80T47-1-E Metabotropic Glutamate Receptor 5 (cluster #1 Of 1), Eukaryotic Eukaryotes 150 0.73 Binding ≤ 10μM
Z50597-1-O Rattus Norvegicus (cluster #1 Of 12), Other Other 150 0.73 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GRM1_MOUSE P97772 Metabotropic Glutamate Receptor 1, Mouse 150 0.73 Binding ≤ 1μM
Q80T43_MOUSE Q80T43 Metabotropic Glutamate Receptor 2, Mouse 150 0.73 Binding ≤ 1μM
GRM3_MOUSE Q9QYS2 Metabotropic Glutamate Receptor 3, Mouse 150 0.73 Binding ≤ 1μM
Q80T47_MOUSE Q80T47 Metabotropic Glutamate Receptor 5, Mouse 150 0.73 Binding ≤ 1μM
Q80T35_MOUSE Q80T35 Metabotropic Glutamate Receptor 6, Mouse 150 0.73 Binding ≤ 1μM
GRM7_MOUSE Q68ED2 Metabotropic Glutamate Receptor 7, Mouse 150 0.73 Binding ≤ 1μM
GRM8_MOUSE P47743 Metabotropic Glutamate Receptor 8, Mouse 150 0.73 Binding ≤ 1μM
GRM1_MOUSE P97772 Metabotropic Glutamate Receptor 1, Mouse 150 0.73 Binding ≤ 10μM
Q80T43_MOUSE Q80T43 Metabotropic Glutamate Receptor 2, Mouse 150 0.73 Binding ≤ 10μM
GRM3_MOUSE Q9QYS2 Metabotropic Glutamate Receptor 3, Mouse 150 0.73 Binding ≤ 10μM
Q80T47_MOUSE Q80T47 Metabotropic Glutamate Receptor 5, Mouse 150 0.73 Binding ≤ 10μM
Q80T35_MOUSE Q80T35 Metabotropic Glutamate Receptor 6, Mouse 150 0.73 Binding ≤ 10μM
GRM7_MOUSE Q68ED2 Metabotropic Glutamate Receptor 7, Mouse 150 0.73 Binding ≤ 10μM
GRM8_MOUSE P47743 Metabotropic Glutamate Receptor 8, Mouse 150 0.73 Binding ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 150 0.73 Functional ≤ 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.