UCSF

ZINC38151834

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2010 41 No

Popular Name: (D-Ala2,D-Leu5)enkephalin; 2-Alanyl-leucine enkephalin; 5-Leucine-2-alanine enkephalin; D-Leucine, N-(N-(N-(N-L-tyrosyl-D-alanyl)glycyl)-L-phenylalanyl)-; Enkephalin, leucine-2-alanine; Enkephalin-leu,ala(2); LS-87867; Leucine enkephalin-2-alanine (D-Ala2,D-Leu5)enkephalin; 2-Ala…

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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) -1.02 3.39 -86.29 8 12 0 204 569.659 15 ↓
Mid Mid (pH 6-8) -1.02 3.15 -54.97 7 12 -1 203 568.651 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 210 0.23 Binding ≤ 10μM
OPRK-1-E Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 4404 0.18 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 29 0.26 Binding ≤ 10μM
SGMR1-1-E Sigma Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 36 0.25 Binding ≤ 10μM
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 447 0.22 Functional ≤ 10μM
OPRM-1-E Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 29 0.26 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_RAT P33533 Delta Opioid Receptor, Rat 1.71 0.30 Binding ≤ 1μM
OPRD_MOUSE P32300 Delta Opioid Receptor, Mouse 447 0.22 Binding ≤ 1μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 1.71 0.30 Binding ≤ 1μM
OPRK_RAT P34975 Kappa Opioid Receptor, Rat 20 0.26 Binding ≤ 1μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 28.8 0.26 Binding ≤ 1μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 0.9 0.31 Binding ≤ 1μM
SGMR1_RAT Q9R0C9 Sigma Opioid Receptor, Rat 36 0.25 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 1.71 0.30 Binding ≤ 10μM
OPRD_MOUSE P32300 Delta Opioid Receptor, Mouse 447 0.22 Binding ≤ 10μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 1.71 0.30 Binding ≤ 10μM
OPRK_RAT P34975 Kappa Opioid Receptor, Rat 10000 0.17 Binding ≤ 10μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 28.8 0.26 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 0.9 0.31 Binding ≤ 10μM
SGMR1_RAT Q9R0C9 Sigma Opioid Receptor, Rat 36 0.25 Binding ≤ 10μM
OPRD_MOUSE P32300 Delta Opioid Receptor, Mouse 447 0.22 Functional ≤ 10μM
OPRM_CAVPO P97266 Mu Opioid Receptor, Guinea Pig 28.8 0.26 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.