UCSF

ZINC08587516

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2007 33 Yes

Popular Name: PPQ 102 PPQ 102

Find On: PubMed — Wikipedia — Google

CAS Number: 931706-15-9

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) 3.75 11.46 -14.76 1 7 0 74 438.487 2 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CFTR-1-E Cystic Fibrosis Transmembrane Conductance Regulator (cluster #1 Of 2), Eukaryotic Eukaryotes 90 0.30 Binding ≤ 10μM
CFTR-1-E Cystic Fibrosis Transmembrane Conductance Regulator (cluster #1 Of 1), Eukaryotic Eukaryotes 250 0.28 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CFTR_HUMAN P13569 Cystic Fibrosis Transmembrane Conductance Regulator, Human 100 0.30 Binding ≤ 1μM
CFTR_HUMAN P13569 Cystic Fibrosis Transmembrane Conductance Regulator, Human 100 0.30 Binding ≤ 10μM
CFTR_HUMAN P13569 Cystic Fibrosis Transmembrane Conductance Regulator, Human 250 0.28 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
ABC-family proteins mediated transport

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