UCSF

ZINC06092269

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 19 Yes

Popular Name: bellidin bellidin

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2980-32-7 , [2980-32-7]

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) 2.24 -1.2 -17.85 4 6 0 111 260.201 0 ↓
Hi High (pH 8-9.5) 2.24 -0.18 -57.66 3 6 -1 114 259.193 0 ↓
Hi High (pH 8-9.5) 2.24 -0.41 -43.98 3 6 -1 114 259.193 0 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links COBT_AGRRK; COBT_AGRT5; COBT_AGRVS; COBT_ALKMQ; COBT_AROAE; COBT_AZOSB; COBT_AZOVD; COBT_BACFN; COBT_BACFR; COBT_BACHD; COBT_BACV8; COBT_BRADU; COBT_BRASB; COBT_BRASO; COBT_BRUA1; COBT_BRUA2; COBT_BRUAB; COBT_BRUC2; COBT_BRUMB; COBT_BRUME; COBT_BRUSI; COB ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z104294-2-O Cyclin-dependent Kinase 5/CDK5 Activator 1 (cluster #2 Of 2), Other Other 200 0.49 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z104294 Z104294 Cyclin-dependent Kinase 5/CDK5 Activator 1 200 0.49 Binding ≤ 1μM
Z104294 Z104294 Cyclin-dependent Kinase 5/CDK5 Activator 1 200 0.49 Binding ≤ 10μM

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