UCSF

ZINC02044729

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 8 Yes

Popular Name: 3,4-Dehydro-L-proline 3,4-Dehydro-L-proline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 201469-31-0 , 3395-35-5 , 4043-88-3 , 58640-72-5 , N/A , [201469-31-0] , [3395-35-5] , [58640-72-5]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) -1.75 1.37 -41.83 2 3 0 56 113.116 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US5420297; US5633232; US5712397; WO1992022569A1; WO1994020126A1 IBM Patent Data

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 8500 0.89 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
EGLN1_HUMAN Q9GZT9 Egl Nine Homolog 1, Human 8500 0.89 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.