UCSF

ZINC36381365

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 35 Yes

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) 3.29 12.12 -18.02 0 7 0 68 468.557 6
Mid Mid (pH 6-8) 3.29 14.28 -51.53 1 7 1 69 469.565 6

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HIF1A-1-E Hypoxia-inducible Factor 1-alpha (cluster #1 Of 2), Eukaryotic Eukaryotes 1700 0.23 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
HIF1A_HUMAN Q16665 Hypoxia-inducible Factor 1 Alpha, Human 1700 0.23 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
Circadian Clock
NOTCH1 Intracellular Domain Regulates Transcription
Oxygen-dependent asparagine hydroxylation of Hypoxia-inducible Factor Alpha
Oxygen-dependent proline hydroxylation of Hypoxia-inducible Factor Alpha
Regulation of gene expression by Hypoxia-inducible Factor

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