UCSF

ZINC04095812

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 16 Yes

Popular Name: Questiomycin A Questiomycin A

Find On: PubMed — Wikipedia — Google

CAS Number: 1916-59-2

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) 2.05 2.88 -8.41 2 4 0 69 212.208 0 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links GRIF_STRGG ChEBI

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80064-8-O CCRF-CEM (T-cell Leukemia) (cluster #8 Of 9), Other Other 2000 0.50 Functional ≤ 10μM
Z80068-3-O CCRF-SB (Lymphoblastic Leukemia Cells) (cluster #3 Of 5), Other Other 1000 0.53 Functional ≤ 10μM
Z80295-8-O MT4 (Lymphocytes) (cluster #8 Of 8), Other Other 1200 0.52 Functional ≤ 10μM
Z80945-2-O HEp-2 (Laryngeal Carcinoma Cells) (cluster #2 Of 4), Other Other 1800 0.50 Functional ≤ 10μM
Z81247-5-O HeLa (Cervical Adenocarcinoma Cells) (cluster #5 Of 9), Other Other 2700 0.49 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80064 Z80064 CCRF-CEM (T-cell Leukemia) 2000 0.50 Functional ≤ 10μM
Z80068 Z80068 CCRF-SB (Lymphoblastic Leukemia Cells) 1000 0.53 Functional ≤ 10μM
Z81247 Z81247 HeLa (Cervical Adenocarcinoma Cells) 2700 0.49 Functional ≤ 10μM
Z80945 Z80945 HEp-2 (Laryngeal Carcinoma Cells) 1800 0.50 Functional ≤ 10μM
Z80295 Z80295 MT4 (Lymphocytes) 1200 0.52 Functional ≤ 10μM

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