UCSF

ZINC42920833

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 20 Yes

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) 4.89 9.42 -45.31 1 3 -1 52 309.172 4

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
IL8-1-E Interleukin-8 (cluster #1 Of 1), Eukaryotic Eukaryotes 10 0.56 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
IL8_HUMAN P10145 Interleukin-8, Human 10 0.56 Binding ≤ 1μM
IL8_HUMAN P10145 Interleukin-8, Human 10 0.56 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
ATF4 activates genes
Chemokine receptors bind chemokines
G alpha (i) signalling events
Peptide ligand-binding receptors
Senescence-Associated Secretory Phenotype (SASP)

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