UCSF

ZINC00636919

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 30 Yes

Popular Name: N,4-dimethyl-N-[2-[methyl(tosyl)amino]phenyl]benzenesulfonamide N,4-dimethyl-N-[2-[methyl(tosyl)…

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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) 4.81 9.58 -21.33 0 6 0 75 444.578 6 ↓

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 200 0.31 Binding ≤ 10μM
C5AR-1-E C5a Anaphylatoxin Chemotactic Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 7 0.38 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
C5AR_HUMAN P21730 C5a Anaphylatoxin Chemotactic Receptor, Human 200 0.31 Binding ≤ 1μM
C5AR_HUMAN P21730 C5a Anaphylatoxin Chemotactic Receptor, Human 200 0.31 Binding ≤ 10μM
C5AR_HUMAN P21730 C5a Anaphylatoxin Chemotactic Receptor, Human 200 0.31 Functional ≤ 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% )