UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36215736
36215736
36215738
36215738
36215698
36215698
36215701
36215701

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4S,7S)-7-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-benzyl-3,6,10-trioxo-2,5,11-triaza (1S,4S,7S)-7-[[(2R)-2-amino-3-(4…

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Activity (Go SEA)

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 49 0.25 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 1 0.31 Binding ≤ 10μM
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 8 0.28 Functional ≤ 10μM
Z50594-4-O Mus Musculus (cluster #4 Of 9), Other Other 101 0.24 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_RAT P33533 Delta Opioid Receptor, Rat 49.3 0.25 Binding ≤ 1μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 0.994 0.31 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 49.3 0.25 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 0.994 0.31 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 7.99 0.28 Functional ≤ 10μM
Z50594 Z50594 Mus Musculus 101 0.24 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) -0.57 0.32 -67.49 10 12 1 207 567.667 7 ↓
Mid Mid (pH 6-8) -0.57 0.02 -21.49 9 12 0 206 566.659 7 ↓

Analogs

36215738
36215738
36215698
36215698
36215701
36215701

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,4R,7S)-7-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-benzyl-3,6,10-trioxo-2,5,11-triaza (1R,4R,7S)-7-[[(2R)-2-amino-3-(4…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 49 0.25 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 1 0.31 Binding ≤ 10μM
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 8 0.28 Functional ≤ 10μM
Z50594-4-O Mus Musculus (cluster #4 Of 9), Other Other 101 0.24 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_RAT P33533 Delta Opioid Receptor, Rat 49.3 0.25 Binding ≤ 1μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 0.994 0.31 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 49.3 0.25 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 0.994 0.31 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 7.99 0.28 Functional ≤ 10μM
Z50594 Z50594 Mus Musculus 101 0.24 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) -0.57 1.34 -80.37 10 12 1 207 567.667 7 ↓
Mid Mid (pH 6-8) -0.57 1.04 -30.87 9 12 0 206 566.659 7 ↓

Analogs

36215698
36215698
36215701
36215701

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,4S,7S)-7-[[(2R)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-benzyl-3,6,10-trioxo-2,5,11-triaza (1R,4S,7S)-7-[[(2R)-2-amino-3-(4…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 49 0.25 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 1 0.31 Binding ≤ 10μM
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 8 0.28 Functional ≤ 10μM
Z50594-4-O Mus Musculus (cluster #4 Of 9), Other Other 101 0.24 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_RAT P33533 Delta Opioid Receptor, Rat 49.3 0.25 Binding ≤ 1μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 0.994 0.31 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 49.3 0.25 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 0.994 0.31 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 7.99 0.28 Functional ≤ 10μM
Z50594 Z50594 Mus Musculus 101 0.24 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) -0.57 1.24 -74.57 10 12 1 207 567.667 7 ↓
Mid Mid (pH 6-8) -0.57 0.94 -28.93 9 12 0 206 566.659 7 ↓

Parameters Provided:

ring.id = 87008
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 = 87008 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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