UCSF

ZINC14952116

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 40 No

Popular Name: Enkephalin L Enkephalin L

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Download: MOL2 SDF SMILES Flexibase

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) -0.85 2.27 -55.92 7 12 -1 203 554.624 15 ↓

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 3 0.30 Binding ≤ 10μM
OPRK-1-E Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 4570 0.19 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 9 0.28 Binding ≤ 10μM
PDYN-1-E Proenkephalin B (cluster #1 Of 1), Eukaryotic Eukaryotes 7 0.29 Binding ≤ 10μM
SGMR1-1-E Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 8 0.28 Binding ≤ 10μM
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 11 0.28 Functional ≤ 10μM
OPRM-1-E Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 246 0.23 Functional ≤ 10μM
Z100254-1-O Monoclonal Antibody (mAb) 3E7 (cluster #1 Of 1), Other Other 18 0.27 Binding ≤ 10μM
Z50597-1-O Rattus Norvegicus (cluster #1 Of 5), Other Other 11 0.28 Binding ≤ 10μM
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 246 0.23 Functional ≤ 10μM
Z50594-4-O Mus Musculus (cluster #4 Of 9), Other Other 9 0.28 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_RAT P33533 Delta Opioid Receptor, Rat 1.43 0.31 Binding ≤ 1μM
OPRD_MOUSE P32300 Delta Opioid Receptor, Mouse 22.2 0.27 Binding ≤ 1μM
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 0.7 0.32 Binding ≤ 1μM
OPRK_MOUSE P33534 Kappa Opioid Receptor, Mouse 75 0.25 Binding ≤ 1μM
Z100254 Z100254 Monoclonal Antibody (mAb) 3E7 17.5 0.27 Binding ≤ 1μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 103 0.24 Binding ≤ 1μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 2.42 0.30 Binding ≤ 1μM
OPRM_MOUSE P42866 Mu Opioid Receptor, Mouse 75 0.25 Binding ≤ 1μM
PDYN_HUMAN P01213 Proenkephalin B, Human 7.1 0.29 Binding ≤ 1μM
Z50597 Z50597 Rattus Norvegicus 11 0.28 Binding ≤ 1μM
SGMR1_MOUSE O55242 Sigma Opioid Receptor, Mouse 8.4 0.28 Binding ≤ 1μM
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 0.7 0.32 Binding ≤ 10μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 1.43 0.31 Binding ≤ 10μM
OPRD_MOUSE P32300 Delta Opioid Receptor, Mouse 22.2 0.27 Binding ≤ 10μM
OPRK_CAVPO P41144 Kappa Opioid Receptor, Guinea Pig 4570 0.19 Binding ≤ 10μM
OPRK_MOUSE P33534 Kappa Opioid Receptor, Mouse 75 0.25 Binding ≤ 10μM
Z100254 Z100254 Monoclonal Antibody (mAb) 3E7 17.5 0.27 Binding ≤ 10μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 103 0.24 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 2.42 0.30 Binding ≤ 10μM
OPRM_MOUSE P42866 Mu Opioid Receptor, Mouse 75 0.25 Binding ≤ 10μM
PDYN_HUMAN P01213 Proenkephalin B, Human 7.1 0.29 Binding ≤ 10μM
Z50597 Z50597 Rattus Norvegicus 11 0.28 Binding ≤ 10μM
SGMR1_MOUSE O55242 Sigma Opioid Receptor, Mouse 8.4 0.28 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 213 0.23 Functional ≤ 10μM
OPRD_MOUSE P32300 Delta Opioid Receptor, Mouse 11.4 0.28 Functional ≤ 10μM
OPRM_CAVPO P97266 Mu Opioid Receptor, Guinea Pig 246 0.23 Functional ≤ 10μM
Z50594 Z50594 Mus Musculus 11.4 0.28 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
G-protein activation
Opioid Signalling
Peptide ligand-binding receptors

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.