UCSF

ZINC03793091

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 32 Yes

Popular Name: troban troban

Find On: PubMed — Wikipedia — Google

CAS Number: 143443-90-7

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) 4.10 -3.29 -55.28 1 7 -1 104 439.532 11 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0638310A1; EP1003501A1; US5506248; US5605917; US5795909; US5977174; US6040147; US6150356; US6150401; US6153653; WO1996017606A1; WO1997044063A2; WO1998043630A1; WO1999026620A1; WO1999030690A1; WO1999034792A1; WO1999045905A2; WO1999055343A1; WO2000012077A IBM Patent Data

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TA2R-1-E Thromboxane A2 Receptor (cluster #1 Of 2), Eukaryotic Eukaryotes 4 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TA2R_RAT P34978 Thromboxane A2 Receptor, Rat 4.03 0.37 Binding ≤ 1μM
TA2R_HUMAN P21731 Thromboxane A2 Receptor, Human 4 0.37 Binding ≤ 1μM
TA2R_RAT P34978 Thromboxane A2 Receptor, Rat 4.03 0.37 Binding ≤ 10μM
TA2R_HUMAN P21731 Thromboxane A2 Receptor, Human 4 0.37 Binding ≤ 10μM

Reactome Annotations from Targets (via Uniprot)

Description Species
G alpha (12/13) signalling events
G alpha (q) signalling events
Prostanoid ligand receptors
Thromboxane signalling through TP receptor

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