UCSF

ZINC44359594

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2010 43 No

Other Names:

Tyr-Pro-Phe-Phe-NHCH3

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) 1.14 6.87 -58.46 7 10 1 155 586.713 12
Mid Mid (pH 6-8) 1.14 6.56 -25.29 6 10 0 154 585.705 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 8474 0.17 Binding ≤ 10μM
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 29 0.25 Binding ≤ 10μM
OPRD-1-E Delta Opioid Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 55 0.24 Functional ≤ 10μM
Q8CGM4-1-E Mu-opioid Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 136 0.22 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRM_RAT P33535 Mu Opioid Receptor, Rat 29.17 0.25 Binding ≤ 1μM
OPRD_RAT P33533 Delta Opioid Receptor, Rat 8474 0.17 Binding ≤ 10μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 29.17 0.25 Binding ≤ 10μM
OPRD_MOUSE P32300 Delta Opioid Receptor, Mouse 54.61 0.24 Functional ≤ 10μM
Q8CGM4_CAVPO Q8CGM4 Mu-opioid Receptor, Guinea Pig 136.2 0.22 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% )