UCSF

ZINC14975443

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 47 No

Popular Name: (2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]- (2S)-2-[[2-[[(2R)-2-[[(2S)-2-ami…

Find On: PubMed — Wikipedia — Google

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) 1.77 6.86 -58.51 8 11 1 167 643.809 15 ↓

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 14 0.23 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 14 0.23 Binding ≤ 10μM
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 510 0.19 Functional ≤ 10μM
OPRM-1-E Mu Opioid Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 125 0.21 Functional ≤ 10μM
Q8CGM4-1-E Mu-opioid Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 160 0.20 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 14 0.23 Binding ≤ 1μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 14 0.23 Binding ≤ 1μM
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 14 0.23 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 14 0.23 Binding ≤ 10μM
OPRD_HUMAN P41143 Delta Opioid Receptor, Human 510 0.19 Functional ≤ 10μM
OPRD_MOUSE P32300 Delta Opioid Receptor, Mouse 380 0.19 Functional ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 125 0.21 Functional ≤ 10μM
Q8CGM4_CAVPO Q8CGM4 Mu-opioid Receptor, Guinea Pig 160 0.20 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% )