UCSF

ZINC13473238

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2008 26 No

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) 6.64 13.11 -5.3 0 2 0 22 373.606 12

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TBB1-2-E Tubulin Beta-1 Chain (cluster #2 Of 2), Eukaryotic Eukaryotes 2100 0.31 Functional ≤ 10μM
TBB3-2-E Tubulin Beta-3 Chain (cluster #2 Of 3), Eukaryotic Eukaryotes 2100 0.31 Functional ≤ 10μM
TBB4A-2-E Tubulin Beta-4 Chain (cluster #2 Of 3), Eukaryotic Eukaryotes 2100 0.31 Functional ≤ 10μM
TBB4B-2-E Tubulin Beta-2 Chain (cluster #2 Of 3), Eukaryotic Eukaryotes 2100 0.31 Functional ≤ 10μM
TBB8-2-E Tubulin Beta-8 Chain (cluster #2 Of 3), Eukaryotic Eukaryotes 2100 0.31 Functional ≤ 10μM
Z80612-2-O 2008 (Ovarian Carcinoma Cells) (cluster #2 Of 2), Other Other 2100 0.31 Functional ≤ 10μM
Z81034-2-O A2780 (Ovarian Carcinoma Cells) (cluster #2 Of 10), Other Other 2100 0.31 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80612 Z80612 2008 (Ovarian Carcinoma Cells) 2100 0.31 Functional ≤ 10μM
Z81034 Z81034 A2780 (Ovarian Carcinoma Cells) 2100 0.31 Functional ≤ 10μM
TBB1_HUMAN Q9H4B7 Tubulin Beta-1 Chain, Human 2100 0.31 Functional ≤ 10μM
TBB4B_HUMAN P68371 Tubulin Beta-2 Chain, Human 2100 0.31 Functional ≤ 10μM
TBB3_HUMAN Q13509 Tubulin Beta-3 Chain, Human 2100 0.31 Functional ≤ 10μM
TBB4A_HUMAN P04350 Tubulin Beta-4 Chain, Human 2100 0.31 Functional ≤ 10μM
TBB8_HUMAN Q3ZCM7 Tubulin Beta-8 Chain, Human 2100 0.31 Functional ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Formation of tubulin folding intermediates by CCT/TriC
Gap junction assembly
Kinesins
Loss of Nlp from mitotic centrosomes
Loss of proteins required for interphase microtubule organization from the ce
MHC class II antigen presentation
Microtubule-dependent trafficking of connexons from Golgi to the plasma membrane
Mitotic Prometaphase
Post-chaperonin tubulin folding pathway
Prefoldin mediated transfer of substrate to CCT/TriC
Recruitment of mitotic centrosome proteins and complexes
Recruitment of NuMA to mitotic centrosomes
Recycling pathway of L1
Regulation of PLK1 Activity at G2/M Transition
Resolution of Sister Chromatid Cohesion
Separation of Sister Chromatids
Translocation of GLUT4 to the plasma membrane

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