UCSF

ZINC15821823

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2008 31 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) 5.32 10.1 -17.41 2 5 0 71 432.907 6
Lo Low (pH 4.5-6) 5.32 10.45 -45.23 3 5 1 73 433.915 6

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ATS5-1-E ADAMTS5 (cluster #1 Of 1), Eukaryotic Eukaryotes 760 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ATS5_HUMAN Q9UNA0 ADAMTS5, Human 760 0.28 Binding ≤ 1μM
ATS5_HUMAN Q9UNA0 ADAMTS5, Human 760 0.28 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Degradation of the extracellular matrix
O-glycosylation of TSR domain-containing proteins

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