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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36215575
36215575
36215578
36215578
36215581
36215581

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-N-[(1S,7R,10R)-7-benzyl-10-isobutyl-2,5,8,11-tetraoxo-3,6,9,12-tetrazacyclotetradec-1-y (2R)-2-amino-N-[(1S,7R,10R)-7-be…

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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 253 0.22 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 25 0.25 Binding ≤ 10μM
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 81 0.24 Functional ≤ 10μM
OPRM-1-E Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 14 0.26 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_RAT P33533 Delta Opioid Receptor, Rat 115 0.23 Binding ≤ 1μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 13.8 0.26 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 115 0.23 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 13.8 0.26 Binding ≤ 10μM
OPRD_MOUSE P32300 Delta Opioid Receptor, Mouse 81.4 0.24 Functional ≤ 10μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 14.1 0.26 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) 0.08 1.56 -56.2 9 12 1 193 581.694 8 ↓
Mid Mid (pH 6-8) 0.08 1.26 -14.22 8 12 0 192 580.686 8 ↓

Analogs

36215578
36215578
36215581
36215581
36215572
36215572

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-N-[(1S,7R,10S)-7-benzyl-10-isobutyl-2,5,8,11-tetraoxo-3,6,9,12-tetrazacyclotetradec-1-y (2R)-2-amino-N-[(1S,7R,10S)-7-be…

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 253 0.22 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 25 0.25 Binding ≤ 10μM
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 81 0.24 Functional ≤ 10μM
OPRM-1-E Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 14 0.26 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_RAT P33533 Delta Opioid Receptor, Rat 115 0.23 Binding ≤ 1μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 13.8 0.26 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 115 0.23 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 13.8 0.26 Binding ≤ 10μM
OPRD_MOUSE P32300 Delta Opioid Receptor, Mouse 81.4 0.24 Functional ≤ 10μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 14.1 0.26 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) 0.08 1.19 -57.01 9 12 1 193 581.694 8 ↓
Mid Mid (pH 6-8) 0.08 0.89 -16.5 8 12 0 192 580.686 8 ↓

Analogs

36215581
36215581
36215572
36215572
36215575
36215575

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-N-[(1R,7R,10R)-7-benzyl-10-isobutyl-2,5,8,11-tetraoxo-3,6,9,12-tetrazacyclotetradec-1-y (2R)-2-amino-N-[(1R,7R,10R)-7-be…

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 253 0.22 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 25 0.25 Binding ≤ 10μM
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 81 0.24 Functional ≤ 10μM
OPRM-1-E Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 14 0.26 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_RAT P33533 Delta Opioid Receptor, Rat 115 0.23 Binding ≤ 1μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 13.8 0.26 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 115 0.23 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 13.8 0.26 Binding ≤ 10μM
OPRD_MOUSE P32300 Delta Opioid Receptor, Mouse 81.4 0.24 Functional ≤ 10μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 14.1 0.26 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) 0.08 0.89 -61.04 9 12 1 193 581.694 8 ↓
Mid Mid (pH 6-8) 0.08 0.6 -16.36 8 12 0 192 580.686 8 ↓

Analogs

36215572
36215572
36215575
36215575

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-amino-N-[(1R,7R,10S)-7-benzyl-10-isobutyl-2,5,8,11-tetraoxo-3,6,9,12-tetrazacyclotetradec-1-y (2R)-2-amino-N-[(1R,7R,10S)-7-be…

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 253 0.22 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 25 0.25 Binding ≤ 10μM
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 81 0.24 Functional ≤ 10μM
OPRM-1-E Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 14 0.26 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_RAT P33533 Delta Opioid Receptor, Rat 115 0.23 Binding ≤ 1μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 13.8 0.26 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 115 0.23 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 13.8 0.26 Binding ≤ 10μM
OPRD_MOUSE P32300 Delta Opioid Receptor, Mouse 81.4 0.24 Functional ≤ 10μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 14.1 0.26 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) 0.08 0.88 -66.82 9 12 1 193 581.694 8 ↓
Mid Mid (pH 6-8) 0.08 0.57 -22.21 8 12 0 192 580.686 8 ↓

Parameters Provided:

ring.id = 86839
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 = 86839 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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