UCSF

ZINC29206920

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 44 No

Popular Name: DPDPE DPDPE

Find On: PubMed — Wikipedia — Google

CAS Number: 88381-29-7

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) -0.51 4.99 -64.21 7 12 -1 203 644.796 7 ↓
Mid Mid (pH 6-8) -0.51 5.32 -102.56 8 12 0 204 645.804 7 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links SO3A1_HUMAN ChEBI

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 7300 0.16 Binding ≤ 10μM
OPRK-1-E Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 2 0.28 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 82 0.23 Binding ≤ 10μM
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 0 0.00 Functional ≤ 10μM
OPRK-1-E Kappa Opioid Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.27 Functional ≤ 10μM
OPRM-1-E Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 7300 0.16 Functional ≤ 10μM
Z50594-1-O Mus Musculus (cluster #1 Of 9), Other Other 6 0.26 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_RAT P33533 Delta Opioid Receptor, Rat 0.63 0.29 Binding ≤ 1μM
OPRD_MOUSE P32300 Delta Opioid Receptor, Mouse 1.6 0.28 Binding ≤ 1μM
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 0.5 0.30 Binding ≤ 1μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 140 0.22 Binding ≤ 1μM
OPRM_BOVIN P79350 Mu Opioid Receptor, Bovin 460 0.20 Binding ≤ 1μM
OPRM_MOUSE P42866 Mu Opioid Receptor, Mouse 2.95 0.27 Binding ≤ 1μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 140 0.22 Binding ≤ 1μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 385 0.20 Binding ≤ 1μM
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 0.5 0.30 Binding ≤ 10μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 0.63 0.29 Binding ≤ 10μM
OPRD_MOUSE P32300 Delta Opioid Receptor, Mouse 1.6 0.28 Binding ≤ 10μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 140 0.22 Binding ≤ 10μM
OPRM_BOVIN P79350 Mu Opioid Receptor, Bovin 460 0.20 Binding ≤ 10μM
OPRM_MOUSE P42866 Mu Opioid Receptor, Mouse 2.95 0.27 Binding ≤ 10μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 140 0.22 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 1300 0.19 Binding ≤ 10μM
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 0.14 0.31 Functional ≤ 10μM
OPRD_MOUSE P32300 Delta Opioid Receptor, Mouse 2.5 0.27 Functional ≤ 10μM
OPRK_MOUSE P33534 Kappa Opioid Receptor, Mouse 2.8 0.27 Functional ≤ 10μM
OPRM_MOUSE P42866 Mu Opioid Receptor, Mouse 2.8 0.27 Functional ≤ 10μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 7300 0.16 Functional ≤ 10μM
OPRM_CAVPO P97266 Mu Opioid Receptor, Guinea Pig 2720 0.18 Functional ≤ 10μM
Z50594 Z50594 Mus Musculus 12.9 0.25 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.