UCSF

ZINC36338546

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 26 Yes

Popular Name: N-[2-methyl-3-(4-pyridyl)-1H-indol-6-yl]benzenesulfonamide N-[2-methyl-3-(4-pyridyl)-1H-ind…

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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) 3.56 6.95 -12.9 2 5 0 75 363.442 4 ↓
Hi High (pH 8-9.5) 3.56 6.96 -51.95 1 5 -1 77 362.434 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
IMDH2-2-E Inosine-5'-monophosphate Dehydrogenase 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 222 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
IMDH2_HUMAN P12268 Inosine-5'-monophosphate Dehydrogenase 2, Human 222 0.36 Binding ≤ 1μM
IMDH2_HUMAN P12268 Inosine-5'-monophosphate Dehydrogenase 2, Human 222 0.36 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Purine ribonucleoside monophosphate biosynthesis

Rings

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

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