UCSF

ZINC03953867

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 30 Yes

Popular Name: 15-carboxy-13-isopropylatis-13-ene-17,18-dioic acid; nsc15520 15-carboxy-13-isopropylatis-13-e…

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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) 4.08 13.68 -263.34 0 6 -3 120 415.506 4 ↓
Mid Mid (pH 6-8) 4.08 11.76 -143.52 1 6 -2 118 416.514 4 ↓
Mid Mid (pH 6-8) 4.08 11.77 -128.8 1 6 -2 118 416.514 4 ↓

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
P53-1-E Cellular Tumor Antigen P53 (cluster #1 Of 2), Eukaryotic Eukaryotes 10000 0.23 Binding ≤ 10μM
RFA1-1-E Replication Protein A 70 KDa DNA-binding Subunit (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
P53_HUMAN P04637 Cellular Tumor Antigen P53, Human 10000 0.23 Binding ≤ 10μM
RFA1_HUMAN P27694 Replication Protein A 70 KDa DNA-binding Subunit, Human 10000 0.23 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Activation of ATR in response to replication stress
Activation of NOXA and translocation to mitochondria
Activation of PUMA and translocation to mitochondria
Activation of the pre-replicative complex
Assembly of the RAD51-ssDNA nucleoprotein complex
Autodegradation of the E3 ubiquitin ligase COP1
DNA Damage/Telomere Stress Induced Senescence
Dual incision reaction in GG-NER
Factors involved in megakaryocyte development and platelet production
Formation of incision complex in GG-NER
Formation of Senescence-Associated Heterochromatin Foci (SAHF)
HSF1 activation
Meiotic recombination
Mismatch repair (MMR) directed by MSH2:MSH3 (MutSbeta)
Mismatch repair (MMR) directed by MSH2:MSH6 (MutSalpha)
Oncogene Induced Senescence
Oxidative Stress Induced Senescence
Pre-NOTCH Transcription and Translation
Presynaptic phase of homologous DNA pairing and strand exchange
Processing of DNA double-strand break ends
Regulation of HSF1-mediated heat shock response
Removal of the Flap Intermediate
Removal of the Flap Intermediate from the C-strand
Repair synthesis for gap-filling by DNA polymerase in TC-NER
Repair synthesis of patch ~27-30 bases long by DNA polymerase
Stabilization of p53
Transcriptional activation of cell cycle inhibitor p21

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