UCSF

ZINC00806083

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 29 Yes

Popular Name: 2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-5-piperidinosulfonyl-benzamide 2-chloro-N-(3-cyano-5,6-dihydro-…

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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) 3.78 8.51 -12.18 1 6 0 90 449.985 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q8DNV6-1-B UDP-N-acetylmuramoylalanine-D-glutamyl-lysine-D-alanyl-D-alanine Ligase (cluster #1 Of 1), Bacterial Bacteria 2500 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q8DNV6_STRR6 Q8DNV6 UDP-N-acetylmuramoylalanine-D-glutamyl-lysine-D-alanyl-D-alanine Ligase, Strr6 2500 0.27 Binding ≤ 10μM

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

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