UCSF

ZINC36216214

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 43 No

Popular Name: DNC013038 DNC013038

Find On: PubMed — Wikipedia — Google

Other Names:

Tyr-Pro-Phe-Hfe-NH2

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) 1.85 6.15 -58.34 8 10 1 169 586.713 13 ↓
Mid Mid (pH 6-8) 1.85 5.83 -24.37 7 10 0 168 585.705 13 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OPRM-1-E Mu-type Opioid Receptor (cluster #1 Of 4), Eukaryotic Eukaryotes 75 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OPRM_RAT P33535 Mu Opioid Receptor, Rat 74.5 0.23 Binding ≤ 1μM
OPRM_RAT P33535 Mu Opioid Receptor, Rat 74.5 0.23 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
G-protein activation
Opioid Signalling
Peptide ligand-binding receptors

Rings

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