UCSF

ZINC13122930

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 16 Yes

Popular Name: 2-pyridin-2-yl-1H-benzimidazol-6-amine 2-pyridin-2-yl-1H-benzimidazol-6…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1311316-12-7 , 55396-63-9

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) 1.45 3.1 -9.81 3 4 0 68 210.24 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 189 - 191 Enamine Building Blocks
MP 189...191 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0843671A1; WO1997003069A1 IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPM2-2-E Methionine Aminopeptidase 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 9300 0.44 Binding ≤ 10μM
AMPM-1-B Methionine Aminopeptidase (cluster #1 Of 3), Bacterial Bacteria 967 0.53 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPM_ECOLI P0AE18 Methionine Aminopeptidase, Ecoli 967 0.53 Binding ≤ 1μM
AMPM_ECOLI P0AE18 Methionine Aminopeptidase, Ecoli 967 0.53 Binding ≤ 10μM
AMPM2_HUMAN P50579 Methionine Aminopeptidase 2, Human 9300 0.44 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Inactivation, recovery and regulation of the phototransduction cascade

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

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