UCSF

ZINC00781682

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2004 34 No

Popular Name: (4R,7R)-5-keto-2-methyl-4,7-bis(2-thienyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic-acid-p-anisy (4R,7R)-5-keto-2-methyl-4,7-bis(…

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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) 5.54 13.85 -17.99 1 5 0 65 491.634 7 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HIS1-1-B ATP Phosphoribosyltransferase (cluster #1 Of 1), Bacterial Bacteria 10000 0.21 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HIS1_MYCTU P60759 ATP Phosphoribosyltransferase, Myctu 10000 0.21 Binding ≤ 10μM

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

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