UCSF

ZINC00598970

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 27 Yes

Popular Name: BIBB515 BIBB515

Find On: PubMed — Wikipedia — Google

CAS Number: 156635-05-1

Other Names:

BIBB 515

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) 4.01 -3.31 -10.2 0 4 0 41 380.875 3 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CAS1-1-E Cycloartenol Synthase (cluster #1 Of 1), Eukaryotic Eukaryotes 2500 0.29 Binding ≤ 10μM
ERG7-1-E Lanosterol Synthase (cluster #1 Of 3), Eukaryotic Eukaryotes 36 0.39 Binding ≤ 10μM
SQHC-2-B Squalene-hopene Cyclase (cluster #2 Of 2), Bacterial Bacteria 2800 0.29 Binding ≤ 10μM
ERG7-1-F Lanosterol Synthase (cluster #1 Of 2), Fungal Fungi 670 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ERG7_HUMAN P48449 Lanosterol Synthase, Human 36 0.39 Binding ≤ 1μM
ERG7_YEAST P38604 Lanosterol Synthase, Yeast 670 0.32 Binding ≤ 1μM
CAS1_ARATH P38605 Cycloartenol Synthase, Arath 2500 0.29 Binding ≤ 10μM
ERG7_HUMAN P48449 Lanosterol Synthase, Human 1150 0.31 Binding ≤ 10μM
ERG7_YEAST P38604 Lanosterol Synthase, Yeast 670 0.32 Binding ≤ 10μM
SQHC_ALIAD P33247 Squalene-hopene Cyclase, Aliad 2800 0.29 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of gene expression by SREBF (SREBP)
Cholesterol biosynthesis

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

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