Structure of PDB 7fsy Chain B Binding Site BS01

Receptor Information
>7fsy Chain B (length=193) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AEIKQGIREVILCKDQDGKIGLRLKSIDNGIFVQLVQANSPASLVGLRFG
DQVLQINGENCAGWSSDKAHKVLKQAFGEKITMTIRDRPFERTITMHKDS
TGHVGFIFKNGKITSIVKDSSAARNGLLTEHNICEINGQNVIGLKDSQIA
DILSTSGTVVTITIMPAFIFEHIIKRMAPSIMKSLMDHTIPEV
Ligand information
Ligand IDYG5
InChIInChI=1S/C11H13N3O/c1-13(2)11(15)8-14-10-6-4-3-5-9(10)7-12-14/h3-7H,8H2,1-2H3
InChIKeyAOLISVCNSODKGB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01CN(C)C(=O)Cn1ncc2ccccc21
CACTVS 3.385CN(C)C(=O)Cn1ncc2ccccc12
OpenEye OEToolkits 2.0.7CN(C)C(=O)Cn1c2ccccc2cn1
FormulaC11 H13 N3 O
Name2-(1H-indazol-1-yl)-N,N-dimethylacetamide
ChEMBLCHEMBL4540215
DrugBank
ZINCZINC000096404712
PDB chain7fsy Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7fsy SDCBP PanDDA analysis group deposition
Resolution2.8 Å
Binding residue
(original residue number in PDB)		C118 P146 L149 V150
Binding residue
(residue number reindexed from 1)		C13 P41 L44 V45
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7fsy, PDBe:7fsy, PDBj:7fsy
PDBsum7fsy
PubMed
UniProtO00560|SDCB1_HUMAN Syntenin-1 (Gene Name=SDCBP)

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