UCSF

ZINC28767088

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 18 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) 3.18 7.91 -60.53 0 3 -1 49 245.229 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 13 0.61 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
IL8_HUMAN P10145 Interleukin-8, Human 13 0.61 Binding ≤ 1μM
IL8_HUMAN P10145 Interleukin-8, Human 13 0.61 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% )