GHJ Ligand Summary Page - RCSB PDB

Warning You are using a web browser that we do not support. Our website will not work properly. Please update to a newer version or download a new web browser, such as Chrome or Firefox. HelpContact usToggle navigationRCSB PDB

• Deposit

  Prepare Data

  • PDBx/mmCIF file
  • pdb_extract
  • SF-Tool
  • Ligand Expo
  • MAXIT

  Validate Data

  • Validation Server
  • Validation API
  • Information for Journals
  • Validation Task Forces

  Deposit Data

  • wwPDB OneDep System
  • PDB-Dev

  Help and Resources

  • Deposit FAQ
  • Validation FAQ
  • Tutorials
  • Annotation Policies
  • Processing Procedures
  • PDBx/mmCIF Dictionary
  • PDBx/mmCIF User Guide
  • Chemical Component Dictionary
  • Biologically Interesting Molecule Reference Dictionary (BIRD)
  • BioSync/Beamlines/Facilities
  • Related Tools
• Search
  • Advanced Search
  • Sequence Similarity Search
  • Structure Similarity Search
  • Chemical Similarity Search
  • Chemical Sketch Tool
  • Browse by Annotations
  • New Entries
  • Unreleased Entries
  • PDB Statistics
• Visualize
  • Mol* (MolStar)
  • Sequence Annotations Viewer
  • Genome View
• Analyze
  • Pairwise Structure Alignment
  • Symmetry Resources in the PDB
  • Structure Quality
  • Grouping Structures
  • PDB Citation MeSH Network Explorer
  • PDB Statistics
  • EPPIC Biological Assemblies
  • External Data and Resources
  • Integrated Resources
  • Additional Resources
• Download
  • Coordinates and Experimental Data
  • Sequences
  • Ligands
  • File Download Services
  • Web APIs
• Learn

  

  • Training Courses
  • Guide to PDB Data
  • Molecule of the Month
  • Educational Resources
  • Curricula
  • Browse
  • News
  • SciArt Galleries
  • Irving Geis
  • David Goodsell
• About
  • Contact Us
  • About RCSB PDB
  • Vision and Mission
  • Citation, Usage, Privacy Policies, Logo
  • News
  • PDB History
  • PDB50
  • User Community
  • Publications
  • RCSB PDB Advisory Committee
  • Team Members
  • Diversity, Equity, Inclusion, and Access
  • Service Status
• Careers
• COVID-19

227,561 Structures from the PDB 1,068,577 Computed Structure Models (CSM)

• 
• 
• 
• 
• 
• 

 Display Files

• Definition (CIF Format)
• Structure Data File (Ideal SDF)

 Download Files

• Definition (CIF Format)
• Structure Data File (Ideal SDF)

Data API GHJ

(3R,3aR,6aS)-N-[(4R,7S,8S,10R,13S)-8-hydroxy-10,17-dimethyl-7-(2-methylpropyl)-5,11,14-trioxo-13-(propan-2-yl)-2-thia-6,12,15-triazaoctadecan-4-yl]hexahydrofuro[3,2-d][1,2]oxazole-3-carboxamide

Find entries where: GHJ is present as a standalone ligand in 1 entriesFind related ligands:Similar Ligands (Stereospecific)Similar Ligands (including Stereoisomers)Similar Ligands (Quick Screen)Similar Ligands (Substructure Stereospecific)Similar Ligands (Substructure including Stereoisomers)Toggle HydrogenToggle Labels

Chemical Component Summary
Name	(3R,3aR,6aS)-N-[(4R,7S,8S,10R,13S)-8-hydroxy-10,17-dimethyl-7-(2-methylpropyl)-5,11,14-trioxo-13-(propan-2-yl)-2-thia-6,12,15-triazaoctadecan-4-yl]hexahydrofuro[3,2-d][1,2]oxazole-3-carboxamide
Identifiers	(3~{R},3~{a}~{R},6~{a}~{S})-~{N}-[(2~{R})-1-[[(4~{S},5~{S},7~{R})-2,7-dimethyl-8-[[(2~{S})-3-methyl-1-(2-methylpropylamino)-1-oxidanylidene-butan-2-yl]amino]-5-oxidanyl-8-oxidanylidene-octan-4-yl]amino]-3-methylsulfanyl-1-oxidanylidene-propan-2-yl]-2,3,3~{a},4,5,6~{a}-hexahydrofuro[3,2-d][1,2]oxazole-3-carboxamide
Formula	C29 H53 N5 O7 S
Molecular Weight	615.825
Type	NON-POLYMER
Isomeric SMILES	C[C@H](C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CSC)NC(=O)[C@H]1[C@H]2CCO[C@H]2ON1)O)C(=O)N[C@@H](C(C)C)C(=O)NCC(C)C
InChI	InChI=1S/C29H53N5O7S/c1-15(2)11-20(22(35)12-18(7)25(36)33-23(17(5)6)27(38)30-13-16(3)4)31-26(37)21(14-42-8)32-28(39)24-19-9-10-40-29(19)41-34-24/h15-24,29,34-35H,9-14H2,1-8H3,(H,30,38)(H,31,37)(H,32,39)(H,33,36)/t18-,19-,20+,21+,22+,23+,24-,29+/m1/s1
InChIKey	FHZUZMVZKPPWHG-VRUQXOILSA-N

Chemical Details
Formal Charge	0
Atom Count	95
Chiral Atom Count	8
Bond Count	96
Aromatic Bond Count	0

Related Resource References

Resource Name	Reference
PubChem	137349429

• About
• About Us
• Citing Us
• Publications
• Team
• Careers
• Usage & Privacy

• Support
• Contact Us
• Help
• Website FAQ
• Glossary
• Service Status

RCSB PDB is hosted by

RCSB PDB is a member of the

• RCSB Partners
• Nucleic Acid Knowledgebase

• wwPDB Partners
• RCSB PDB
• PDBe
• PDBj
• BMRB
• EMDB

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.