UCSF

ZINC14952106

Substance Information

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

Other Names:

Leucine-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) -0.85 2.27 -58 7 12 -1 203 554.624 15

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0017908A1; EP0029300A1; EP0032286A2; EP0096592A1; EP0106370A2; EP0118894A2; EP0124243A1; EP0177366A2; EP0177366B1; EP0185079A1; EP0195331A2; EP0195331B1; EP0225292A2; EP0307662A2; EP0319353A1; EP0319353B1; EP0321479B1; EP0341081A2; EP0341081B1; EP035022 IBM Patent Data

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 6 0.29 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 380 0.22 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 6 0.29 Binding ≤ 1μM
OPRM_CAVPO P97266 Mu Opioid Receptor, Guinea Pig 380 0.22 Binding ≤ 1μM
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 6 0.29 Binding ≤ 10μM
OPRM_CAVPO P97266 Mu Opioid Receptor, Guinea Pig 380 0.22 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
Peptide ligand-binding receptors

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