UCSF

ZINC08981465

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 11 Yes

Popular Name: 6H-thieno[2,3-b]pyrrole-5-carboxylic acid 6H-thieno[2,3-b]pyrrole-5-carbox…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 51856-25-8 , [51856-25-8]

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) 1.73 3.12 -47.34 1 3 -1 56 166.181 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 164 - 166 Enamine Building Blocks
MP 164...166 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
OXDA-2-E D-amino-acid Oxidase (cluster #2 Of 2), Eukaryotic Eukaryotes 269 0.84 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
OXDA_HUMAN P14920 D-amino-acid Oxidase, Human 269 0.84 Binding ≤ 1μM
OXDA_HUMAN P14920 D-amino-acid Oxidase, Human 269 0.84 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Glyoxylate metabolism

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

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