UCSF

ZINC03146695

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 31 Yes

Popular Name: N-[4-[(4-methoxyphenyl)sulfamoyl]-1-naphthyl]benzamide N-[4-[(4-methoxyphenyl)sulfamoyl…

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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) 4.76 8.17 -18.23 2 6 0 85 432.501 6 ↓
Hi High (pH 8-9.5) 4.76 8.19 -58.77 1 6 -1 87 431.493 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CCR8-1-E C-C Chemokine Receptor Type 8 (cluster #1 Of 1), Eukaryotic Eukaryotes 43 0.33 Binding ≤ 10μM
CCR8-1-E C-C Chemokine Receptor Type 8 (cluster #1 Of 1), Eukaryotic Eukaryotes 150 0.31 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CCR8_HUMAN P51685 C-C Chemokine Receptor Type 8, Human 42.6 0.33 Binding ≤ 1μM
CCR8_HUMAN P51685 C-C Chemokine Receptor Type 8, Human 42.6 0.33 Binding ≤ 10μM
CCR8_HUMAN P51685 C-C Chemokine Receptor Type 8, Human 150 0.31 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Chemokine receptors bind chemokines
G alpha (i) signalling events

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

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