UCSF

ZINC00608180

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 31 Yes

Popular Name: Apafant Apafant

Find On: PubMed — Wikipedia — Google

CAS Number: 105219-56-5

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) 2.12 9.62 -18 0 7 0 73 455.971 4 ↓
Mid Mid (pH 6-8) 2.12 10.55 -40.91 1 7 1 74 456.979 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 98 0.32 Binding ≤ 10μM
PTAFR-1-E Platelet Activating Factor Receptor (cluster #1 Of 3), Eukaryotic Eukaryotes 98 0.32 Functional ≤ 10μM
Z50587-1-O Homo Sapiens (cluster #1 Of 9), Other Other 40 0.33 Functional ≤ 10μM
Z50592-3-O Oryctolagus Cuniculus (cluster #3 Of 8), Other Other 91 0.32 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 200 0.30 Binding ≤ 1μM
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 200 0.30 Binding ≤ 10μM
Z50587 Z50587 Homo Sapiens 40 0.33 Functional ≤ 10μM
Z50592 Z50592 Oryctolagus Cuniculus 340 0.29 Functional ≤ 10μM
PTAFR_HUMAN P25105 Platelet Activating Factor Receptor, Human 146 0.31 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% )