UCSF

ZINC14951658

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 45 No

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) 1.48 5.18 -27.84 8 11 0 184 610.715 12

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 6390 0.16 Binding ≤ 10μM
OPRK-1-E Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 53 0.23 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 10 0.25 Binding ≤ 10μM
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 932 0.19 Functional ≤ 10μM
OPRM-1-E Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 4 0.26 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRK_RAT P34975 Kappa Opioid Receptor, Rat 52.7 0.23 Binding ≤ 1μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 1.11 0.28 Binding ≤ 1μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 0.16 0.30 Binding ≤ 1μM
OPRM_CAVPO P97266 Mu Opioid Receptor, Guinea Pig 10.1 0.25 Binding ≤ 1μM
OPRM_MOUSE P42866 Mu Opioid Receptor, Mouse 36.3 0.23 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 1280 0.18 Binding ≤ 10μM
OPRK_RAT P34975 Kappa Opioid Receptor, Rat 52.7 0.23 Binding ≤ 10μM
OPRM_CAVPO P97266 Mu Opioid Receptor, Guinea Pig 10.1 0.25 Binding ≤ 10μM
OPRM_MOUSE P42866 Mu Opioid Receptor, Mouse 36.3 0.23 Binding ≤ 10μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 1.11 0.28 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 0.16 0.30 Binding ≤ 10μM
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 932 0.19 Functional ≤ 10μM
OPRD_MOUSE P32300 Delta Opioid Receptor, Mouse 26.3 0.24 Functional ≤ 10μM
OPRM_CAVPO P97266 Mu Opioid Receptor, Guinea Pig 17.2 0.24 Functional ≤ 10μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 0.1 0.31 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% )