UCSF

ZINC03995590

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2005 49 No

Popular Name: DNC005210 DNC005210

Find On: PubMed — Wikipedia — Google

CAS Number: 105618-26-6

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) 4.13 -9.62 -114.95 7 9 2 124 663.815 4 ↓

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 65 0.21 Binding ≤ 10μM
OPRK-1-E Kappa Opioid Receptor (cluster #1 Of 6), Eukaryotic Eukaryotes 6 0.23 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 28 0.22 Binding ≤ 10μM
Z50512-1-O Cavia Porcellus (cluster #1 Of 1), Other Other 17 0.22 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50512 Z50512 Cavia Porcellus 0.1 0.29 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 86 0.20 Binding ≤ 1μM
OPRD_MOUSE P32300 Delta Opioid Receptor, Mouse 10.4 0.23 Binding ≤ 1μM
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 0.3 0.27 Binding ≤ 1μM
OPRK_MOUSE P33534 Kappa Opioid Receptor, Mouse 1.65 0.25 Binding ≤ 1μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 0.1 0.29 Binding ≤ 1μM
OPRK_CAVPO P41144 Kappa Opioid Receptor, Guinea Pig 0.861 0.26 Binding ≤ 1μM
OPRK_RAT P34975 Kappa Opioid Receptor, Rat 0.1 0.29 Binding ≤ 1μM
OPRM_CAVPO P97266 Mu Opioid Receptor, Guinea Pig 28.2 0.22 Binding ≤ 1μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 0.94 0.26 Binding ≤ 1μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 0.22 0.28 Binding ≤ 1μM
Z50512 Z50512 Cavia Porcellus 0.1 0.29 Binding ≤ 10μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 86 0.20 Binding ≤ 10μM
OPRD_MOUSE P32300 Delta Opioid Receptor, Mouse 10.4 0.23 Binding ≤ 10μM
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 0.3 0.27 Binding ≤ 10μM
OPRK_MOUSE P33534 Kappa Opioid Receptor, Mouse 1.65 0.25 Binding ≤ 10μM
OPRK_HUMAN P41145 Kappa Opioid Receptor, Human 0.1 0.29 Binding ≤ 10μM
OPRK_CAVPO P41144 Kappa Opioid Receptor, Guinea Pig 0.861 0.26 Binding ≤ 10μM
OPRK_RAT P34975 Kappa Opioid Receptor, Rat 0.1 0.29 Binding ≤ 10μM
OPRM_CAVPO P97266 Mu Opioid Receptor, Guinea Pig 28.2 0.22 Binding ≤ 10μM
OPRM_HUMAN P35372 Mu Opioid Receptor, Human 0.94 0.26 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 0.22 0.28 Binding ≤ 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% )