UCSF

ZINC02573080

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 34 Yes

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

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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) 6.10 13.53 -19.72 0 6 0 75 496.654 10 ↓

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 300 0.27 Binding ≤ 10μM
C5AR-1-E C5a Anaphylatoxin Chemotactic Receptor (cluster #1 Of 1), Eukaryotic Eukaryotes 59 0.30 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
C5AR_HUMAN P21730 C5a Anaphylatoxin Chemotactic Receptor, Human 300 0.27 Binding ≤ 1μM
C5AR_HUMAN P21730 C5a Anaphylatoxin Chemotactic Receptor, Human 300 0.27 Binding ≤ 10μM
C5AR_HUMAN P21730 C5a Anaphylatoxin Chemotactic Receptor, Human 300 0.27 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% )

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