UCSF

ZINC49853562

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2010 49 No

Popular Name: 2-Ser-thr-leu-enkephalin; 75644-90-5; C20165; DSLET; Enkephalin, Ser(2), Leu(5), Thr(6)- 2-Ser-thr-leu-enkephalin; 75644-…

Find On: PubMed — Wikipedia — Google

CAS Number: 75644-90-5

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) -3.17 -2.87 -61.44 10 16 -1 272 685.755 19 ↓
Mid Mid (pH 6-8) -3.17 -3.08 -92.35 11 16 0 274 686.763 19 ↓

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 1040 0.17 Binding ≤ 10μM
OPRK-1-E Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 600 0.18 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 73 0.20 Binding ≤ 10μM
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 406 0.18 Functional ≤ 10μM
Z50594-4-O Mus Musculus (cluster #4 Of 9), Other Other 0 0.00 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 1.3 0.25 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 4.8 0.24 Binding ≤ 1μM
OPRD_MOUSE P32300 Delta Opioid Receptor, Mouse 0.58 0.26 Binding ≤ 1μM
OPRK_CAVPO P41144 Kappa Opioid Receptor, Guinea Pig 600 0.18 Binding ≤ 1μM
OPRM_CAVPO P97266 Mu Opioid Receptor, Guinea Pig 360 0.18 Binding ≤ 1μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 31 0.21 Binding ≤ 1μM
OPRD_MOUSE P32300 Delta Opioid Receptor, Mouse 0.58 0.26 Binding ≤ 10μM
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 1.3 0.25 Binding ≤ 10μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 4.8 0.24 Binding ≤ 10μM
OPRK_CAVPO P41144 Kappa Opioid Receptor, Guinea Pig 1040 0.17 Binding ≤ 10μM
OPRM_CAVPO P97266 Mu Opioid Receptor, Guinea Pig 1040 0.17 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 31 0.21 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 406 0.18 Functional ≤ 10μM
Z50594 Z50594 Mus Musculus 0.4 0.27 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.