UCSF

ZINC53033378

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2010 36 Yes

Popular Name: 5-[2-[(6-chloro-4-quinolyl)methyl]-7-(cyclopropylmethyl)-5-methyl-4,6-dioxo-pyrazolo[3,4-d]pyrimidin 5-[2-[(6-chloro-4-quinolyl)methy…

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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) 2.88 13.9 -15.69 0 9 0 103 499.962 5 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MURI-1-B Glutamate Racemase (cluster #1 Of 2), Bacterial Bacteria 26 0.29 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MURI_HELPY P56068 Glutamate Racemase, Helpy 25 0.30 Binding ≤ 1μM
MURI_HELPY P56068 Glutamate Racemase, Helpy 25 0.30 Binding ≤ 10μM

Rings

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

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