UCSF

ZINC01534133

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2004 10 No

CAS Numbers: 5262-39-5 , [5262-39-5]

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) -3.00 -1.85 -95.16 1 6 -2 109 145.07 3

Vendor Notes

Note Type Comments Provided By
Purity 98% Matrix Scientific
UniProt Database Links FTO_HUMAN; FTO_MOUSE; FTO_PONAB; FTO_RAT; FXD5A_XENLA; NBL1_XENLA; NBL1_XENTR; NOG1_ARATH; NOG1_ASHGO; NOG1_CAEEL; NOG1_CANGA; NOG1_DICDI; NOG1_DROME; NOG1_ENCCU; NOG1_HUMAN; NOG1_KLULA; NOG1_MOUSE; NOG1_RAT; NOG1_SCHPO; NOG1_TRYBB; NOG1_YEAST; NOGG_HUMAN ChEBI
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Refrigerate Matrix Scientific

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
EGLN1-2-E Egl Nine Homolog 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 8000 0.71 Binding ≤ 10μM
EGLN2-2-E Hypoxia-inducible Factor Prolyl Hydroxylase 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 842 0.85 Binding ≤ 10μM
P4HA1-2-E Prolyl 4-hydroxylase Alpha-1 Subunit (cluster #2 Of 2), Eukaryotic Eukaryotes 540 0.88 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
EGLN2_HUMAN Q96KS0 Hypoxia-inducible Factor Prolyl Hydroxylase 1, Human 842 0.85 Binding ≤ 1μM
P4HA1_RAT P54001 Prolyl 4-hydroxylase Alpha-1 Subunit, Rat 540 0.88 Binding ≤ 1μM
EGLN1_HUMAN Q9GZT9 Egl Nine Homolog 1, Human 2800 0.78 Binding ≤ 10μM
EGLN2_HUMAN Q96KS0 Hypoxia-inducible Factor Prolyl Hydroxylase 1, Human 2100 0.79 Binding ≤ 10μM
P4HA1_RAT P54001 Prolyl 4-hydroxylase Alpha-1 Subunit, Rat 2890 0.78 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha

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

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