UCSF

ZINC13544480

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 17 No

Popular Name: S-(5-deoxy-D-ribos-5-yl)-L-homocysteine S-(5-deoxy-D-ribos-5-yl)-L-homoc…

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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) -3.40 -4.65 -55.09 6 7 0 138 267.303 6 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links LUXS1_LACDB; LUXS2_LACDB; LUXS_ACTP2; LUXS_ACTP7; LUXS_ACTPJ; LUXS_ACTSZ; LUXS_AERHH; LUXS_AERS4; LUXS_ALISL; LUXS_ARCB4; LUXS_BACA2; LUXS_BACAA; LUXS_BACAC; LUXS_BACAH; LUXS_BACAN; LUXS_BACC0; LUXS_BACC1; LUXS_BACC2; LUXS_BACC3; LUXS_BACC4; LUXS_BACC7; L ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LUXS-1-B S-ribosylhomocysteine Lyase (cluster #1 Of 1), Bacterial Bacteria 430 0.52 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
LUXS_BACSU O34667 S-ribosylhomocysteine Lyase, Bacsu 430 0.52 Binding ≤ 1μM
LUXS_BACSU O34667 S-ribosylhomocysteine Lyase, Bacsu 4200 0.44 Binding ≤ 10μM

Rings

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