UCSF

ZINC03809579

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2005 37 No

CAS Number: 161395-33-1

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) 5.28 2.16 -16.31 0 6 0 60 510.594 4

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTAFR-2-E Platelet Activating Factor Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 4 0.32 Binding ≤ 10μM
PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 4 0.32 Functional ≤ 10μM
Z50592-1-O Oryctolagus Cuniculus (cluster #1 Of 1), Other Other 4 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50592 Z50592 Oryctolagus Cuniculus 3.8 0.32 Binding ≤ 1μM
PTAFR_RAT P46002 Platelet Activating Factor Receptor, Rat 3.8 0.32 Binding ≤ 1μM
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 3.8 0.32 Binding ≤ 1μM
Z50592 Z50592 Oryctolagus Cuniculus 3.8 0.32 Binding ≤ 10μM
PTAFR_RAT P46002 Platelet Activating Factor Receptor, Rat 3.8 0.32 Binding ≤ 10μM
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 3.8 0.32 Binding ≤ 10μM
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 3.8 0.32 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Class A/1 (Rhodopsin-like receptors)
G alpha (q) signalling events
Interferon gamma signaling

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