UCSF

ZINC01231982

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2004 27 Yes

Popular Name: N-(2-benzoyl-4-chloro-phenyl)-N,4-dimethyl-benzenesulfonamide N-(2-benzoyl-4-chloro-phenyl)-N,…

Find On: PubMed — Wikipedia — Google

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) 5.46 10.16 -11.27 0 4 0 54 399.899 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
C5AR-1-E C5a Anaphylatoxin Chemotactic Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 8700 0.26 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
C5AR_HUMAN P21730 C5a Anaphylatoxin Chemotactic Receptor, Human 8700 0.26 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (i) signalling events
Peptide ligand-binding receptors

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

No pre-computed analogs available. Try a structural similarity search.