UCSF

ZINC27887108

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2009 40 No

Other Names:

[LEU5]ENKEPHALIN

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) 0.65 -1.43 -60.8 10 12 1 207 555.656 15
Hi High (pH 8-9.5) 0.65 -1.76 -25.14 9 12 0 206 554.648 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 31 0.26 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 11 0.28 Binding ≤ 10μM
OPRM-1-E Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 58 0.25 Functional ≤ 10μM
Z100254-1-O Monoclonal Antibody (mAb) 3E7 (cluster #1 Of 1), Other Other 27 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 31 0.26 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 2.53 0.30 Binding ≤ 1μM
Z100254 Z100254 Monoclonal Antibody (mAb) 3E7 27.3 0.26 Binding ≤ 1μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 11.4 0.28 Binding ≤ 1μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 24 0.27 Binding ≤ 1μM
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 31 0.26 Binding ≤ 10μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 2.53 0.30 Binding ≤ 10μM
Z100254 Z100254 Monoclonal Antibody (mAb) 3E7 27.3 0.26 Binding ≤ 10μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 11.4 0.28 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 24 0.27 Binding ≤ 10μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 26.1 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% )