UCSF

ZINC53092426

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 37 Yes

Popular Name: Dago Dago

Find On: PubMed — Wikipedia — Google

CAS Numbers: 100929-53-1 , 78123-71-4

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

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GASR-1-E Cholecystokinin B Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 3 0.32 Binding ≤ 10μM
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 7 0.31 Binding ≤ 10μM
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 1280 0.22 Binding ≤ 10μM
OPRK-1-E Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 5820 0.20 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 1 0.34 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 1 0.34 Binding ≤ 10μM
OPRX-1-E Nociceptin Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 27 0.29 Binding ≤ 10μM
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 76 0.27 Functional ≤ 10μM
OPRM-1-E Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 76 0.27 Functional ≤ 10μM
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 8 0.31 Functional ≤ 10μM
Z50512-1-O Cavia Porcellus (cluster #1 Of 7), Other Other 28 0.29 Functional ≤ 10μM
Z50594-4-O Mus Musculus (cluster #4 Of 9), Other Other 950 0.23 Functional ≤ 10μM
Z50594-4-O Mus Musculus (cluster #4 Of 9), Other Other 2400 0.21 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GASR_HUMAN P32239 Cholecystokinin B Receptor, Human 11 0.30 Binding ≤ 1μM
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 0.66 0.35 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 469 0.24 Binding ≤ 1μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 14 0.30 Binding ≤ 1μM
OPRM_CAVPO P97266 Mu Opioid Receptor, Guinea Pig 1.1 0.34 Binding ≤ 1μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 0.45 0.35 Binding ≤ 1μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 1.22 0.34 Binding ≤ 1μM
OPRX_HUMAN P41146 Nociceptin Receptor, Human 26.9 0.29 Binding ≤ 1μM
GASR_HUMAN P32239 Cholecystokinin B Receptor, Human 11 0.30 Binding ≤ 10μM
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 0.66 0.35 Binding ≤ 10μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 1280 0.22 Binding ≤ 10μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 14 0.30 Binding ≤ 10μM
OPRK_CAVPO P41144 Kappa Opioid Receptor, Guinea Pig 1841 0.22 Binding ≤ 10μM
OPRM_CAVPO P97266 Mu Opioid Receptor, Guinea Pig 1.1 0.34 Binding ≤ 10μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 0.45 0.35 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 1.22 0.34 Binding ≤ 10μM
OPRX_HUMAN P41146 Nociceptin Receptor, Human 26.9 0.29 Binding ≤ 10μM
Z50512 Z50512 Cavia Porcellus 28.3 0.29 Functional ≤ 10μM
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 76.1 0.27 Functional ≤ 10μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 0.44 0.35 Functional ≤ 10μM
OPRM_MOUSE P42866 Mu Opioid Receptor, Mouse 75.55 0.27 Functional ≤ 10μM
Z50594 Z50594 Mus Musculus 950 0.23 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
G alpha (q) signalling events
G-protein activation
Gastrin-CREB signalling pathway via PKC and MAPK
Opioid Signalling
Peptide ligand-binding receptors

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

No pre-computed analogs available. Try a structural similarity search.