UCSF
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Popular Name: 3-(1H-benzimidazol-5-ylmethyl)-1-[(4-tert-butylphenyl)methyl]thiourea 3-(1H-benzimidazol-5-ylmethyl)-1…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TRPV1-1-E Vanilloid Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 790 0.34 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TRPV1_RAT O35433 Vanilloid Receptor, Rat 790 0.34 Binding ≤ 1μM
TRPV1_RAT O35433 Vanilloid Receptor, Rat 790 0.34 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) 4.26 10.48 -14.23 3 4 0 53 352.507 7 ↓
Lo Low (pH 4.5-6) 4.26 10.97 -45.26 4 4 1 54 353.515 7 ↓

Parameters Provided:

ring.id = 221857
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 = 221857 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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