UCSF
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Analogs

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Popular Name: 8-[[[6-(2-fluorophenyl)pyridazin-3-yl]amino]methyl]-3-pyridazin-3-yl-1-oxa-3-azaspiro[4.5]decan-2-on 8-[[[6-(2-fluorophenyl)pyridazin…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NPY5R-1-E Neuropeptide Y Receptor Type 5 (cluster #1 Of 1), Eukaryotic Eukaryotes 0 0.00 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NPY5R_HUMAN Q15761 Neuropeptide Y Receptor Type 5, Human 0.158489319 0.43 Functional ≤ 10μM

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) 3.60 10.46 -33.81 1 8 0 93 434.475 5 ↓
Mid Mid (pH 6-8) 3.60 10.53 -49.11 2 8 1 94 435.483 5 ↓
Mid Mid (pH 6-8) 3.60 10.63 -55.6 2 8 1 94 435.483 5 ↓

Analogs

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Popular Name: 8-[[[6-(o-tolyl)pyridazin-3-yl]amino]methyl]-3-pyridazin-3-yl-1-oxa-3-azaspiro[4.5]decan-2-one 8-[[[6-(o-tolyl)pyridazin-3-yl]a…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NPY5R-1-E Neuropeptide Y Receptor Type 5 (cluster #1 Of 1), Eukaryotic Eukaryotes 0 0.00 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NPY5R_HUMAN Q15761 Neuropeptide Y Receptor Type 5, Human 0.1 0.44 Functional ≤ 10μM

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) 3.88 11.01 -29.25 1 8 0 93 430.512 5 ↓
Mid Mid (pH 6-8) 3.88 11.17 -53.8 2 8 1 94 431.52 5 ↓
Mid Mid (pH 6-8) 3.88 11.17 -48.86 2 8 1 94 431.52 5 ↓

Parameters Provided:

ring.id = 366830
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 366830 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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