C28 H31 N5 O4 S
Z86
(4-{5-[({4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}carbamoyl)amino]-3-tert-butyl-1H-pyrazol-1-yl}phenyl)acetic acid
Description
Physiochemical properties
Bound structures
Interaction statistics
Ligand-specific databases
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Synonyms
2-(4-(5-(3-(4-(2-(benzyloxy)ethyl)thiazol-2-yl)ureido)-3-ter...Show more
Formula
Standard InChI
InChI=1S/C28H31N5O4S/c1-28(2,3)23-16-24(33(32-23)22-11-9-19(10-12-22)15-25(34)35)30-26(36)31-27-29-21(18-38-27)13-14-37-...Show more
Standard InChI Key
QUOWKTGPIJLRIN-UHFFFAOYSA-N
SMILES
CC(C)(C)c1cc(n(n1)c2ccc(cc2)CC(=O)O)NC(=O)Nc3nc(cs3)CCOCc4cc...Show more
Source OpenEye
First observed in
Overall view, and highlighted
scaffolds and fragments ![help icon]()
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
This image gallery displays several views of the ligand structure:
- Basic Structural Representation: Shows the overall structure of the ligand.
- Detailed Structural Representation: Highlights individual atoms within the ligand.
- Murcko Scaffold: Presents the scaffold of the ligand highlighted in yellow.
- Highlighted Fragments: Displays various ligand fragments, highlighted in yellow.
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