UCSF
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Analogs

49872485
49872485
40429324
40429324

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Popular Name: N-[cyclopropylmethyl(dihydroxy)BLAHyl]naphthalene-2-carboxamide N-[cyclopropylmethyl(dihydroxy)B…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 29 0.29 Binding ≤ 10μM
OPRK-1-E Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 65 0.27 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 56 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 29.26 0.29 Binding ≤ 1μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 65.26 0.27 Binding ≤ 1μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 55.6 0.27 Binding ≤ 1μM
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 29.26 0.29 Binding ≤ 10μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 65.26 0.27 Binding ≤ 10μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 55.6 0.27 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) 4.17 8.41 -56.39 4 6 1 83 497.615 4 ↓

Parameters Provided:

ring.id = 519655
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 = 519655 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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