UCSF
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Analogs

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Popular Name: N-[3-cyano-6-(4-fluoro-2-hydroxy-phenyl)-4-[3-(4-methylpiperazin-1-yl)phenyl]-2-pyridyl]furan-2-carb N-[3-cyano-6-(4-fluoro-2-hydroxy…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KISSR-1-E Metastin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 15 0.30 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KISSR_HUMAN Q969F8 Metastin Receptor, Human 15 0.30 Binding ≤ 1μM
KISSR_HUMAN Q969F8 Metastin Receptor, Human 15 0.30 Binding ≤ 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) 4.35 12.79 -51.38 3 8 1 107 498.538 5 ↓
Mid Mid (pH 6-8) 4.35 10.44 -12.33 2 8 0 106 497.53 5 ↓

Analogs

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Popular Name: N-[3-cyano-4-[3-(4-ethylpiperazin-1-yl)phenyl]-6-(4-fluoro-2-hydroxy-phenyl)-2-pyridyl]furan-2-carbo N-[3-cyano-4-[3-(4-ethylpiperazi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KISSR-1-E Metastin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 11 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KISSR_RAT Q924U1 KiSS-1 Receptor, Rat 47 0.27 Binding ≤ 1μM
KISSR_HUMAN Q969F8 Metastin Receptor, Human 11 0.29 Binding ≤ 1μM
KISSR_RAT Q924U1 KiSS-1 Receptor, Rat 47 0.27 Binding ≤ 10μM
KISSR_HUMAN Q969F8 Metastin Receptor, Human 11 0.29 Binding ≤ 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) 4.72 13.45 -50.25 3 8 1 107 512.565 6 ↓
Mid Mid (pH 6-8) 4.72 11.24 -12.06 2 8 0 106 511.557 6 ↓

Parameters Provided:

ring.id = 38903
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 = 38903 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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