UCSF

ZINC00602601

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 34 Yes

Popular Name: 7-Cyano-2,3,4,5-tetrahydro-1-(1H-imidazol-4-ylmethyl)-3-(phenylmethyl)-4-(2-thienylsulfonyl)-1H-1,4-benzodiazepine 7-Cyano-2,3,4,5-tetrahydro-1-(1H…

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CAS Numbers: 195987-41-8 , 761389-11-1

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) 3.66 12.46 -52.57 2 7 1 94 490.634 6 ↓
Ref Reference (pH 7) 3.66 12.49 -52.49 2 7 1 94 490.634 6 ↓
Mid Mid (pH 6-8) 3.66 11.6 -15.88 1 7 0 93 489.626 6 ↓
Mid Mid (pH 6-8) 3.66 11.98 -17.19 1 7 0 93 489.626 6 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q5EI73-1-E Protein Farnesyltransferase Alpha Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 8 0.33 Binding ≤ 10μM
Q5EI74-1-E Protein Farnesyltransferase Beta Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 8 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q5EI73_PLAFA Q5EI73 Protein Farnesyltransferase Alpha Subunit, Plafa 8 0.33 Binding ≤ 1μM
Q5EI74_PLAFA Q5EI74 Protein Farnesyltransferase Beta Subunit, Plafa 8 0.33 Binding ≤ 1μM
Q5EI73_PLAFA Q5EI73 Protein Farnesyltransferase Alpha Subunit, Plafa 8 0.33 Binding ≤ 10μM
Q5EI74_PLAFA Q5EI74 Protein Farnesyltransferase Beta Subunit, Plafa 8 0.33 Binding ≤ 10μM

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