UCSF
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Popular Name: (2S)-N-[(1S)-2-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-[(2-cyclopropyl-1H-imidazol-4-yl)methyl]-2-oxo-et (2S)-N-[(1S)-2-[(2S)-2-carbamoyl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q9R297-1-E Thyrotropin-releasing Hormone Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 410 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q9R297_RAT Q9R297 Thyrotropin-releasing Hormone Receptor 2, Rat 410 0.31 Binding ≤ 1μM
Q9R297_RAT Q9R297 Thyrotropin-releasing Hormone Receptor 2, Rat 410 0.31 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) -1.58 1.15 -28.83 5 10 0 150 402.455 7 ↓
Mid Mid (pH 6-8) -1.58 1.56 -57.12 6 10 1 152 403.463 7 ↓

Parameters Provided:

ring.id = 222151
filter.purchasability = annotated
page.format = targets
page.num = 1
VisitorId = cda57ca9-f886-4c6b-8dd3-e998302ecbb7

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 = 222151 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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