UCSF

ZINC03959835

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2005 32 No

Popular Name: OGT2115 OGT2115

Find On: PubMed — Wikipedia — Google

CAS Number: 853929-59-6

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) 5.48 -1.28 -53.22 1 6 -1 95 494.296 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HPSE-1-E Heparanase (cluster #1 Of 2), Eukaryotic Eukaryotes 400 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HPSE_HUMAN Q9Y251 Heparanase, Human 398.107171 0.28 Binding ≤ 1μM
HPSE_HUMAN Q9Y251 Heparanase, Human 398.107171 0.28 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
HS-GAG degradation

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

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