Structure of PDB 7fsg Chain D Binding Site BS01

Receptor Information
>7fsg Chain D (length=191) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IKQGIREVILCKDQDGKIGLRLKSIDNGIFVQLVQANSPASLVGLRFGDQ
VLQINGENCAGWSSDKAHKVLKQAFGEKITMTIRDRPFERTITMHKDSTG
HVGFIFKNGKITSIVKDSSAARNGLLTEHNICEINGQNVIGLKDSQIADI
LSTSGTVVTITIMPAFIFEHIIKRMAPSIMKSLMDHTIPEV
Ligand information
Ligand IDYG9
InChIInChI=1S/C13H16N2O3/c1-13(11(16)14-12(17)15-13)8-7-9-3-5-10(18-2)6-4-9/h3-6H,7-8H2,1-2H3,(H2,14,15,16,17)/t13-/m1/s1
InChIKeyHYRDVXQOZUFAFW-CYBMUJFWSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COc1ccc(CC[C@@]2(C)NC(=O)NC2=O)cc1
ACDLabs 12.01COc1ccc(cc1)CCC1(C)NC(=O)NC1=O
OpenEye OEToolkits 2.0.7CC1(C(=O)NC(=O)N1)CCc2ccc(cc2)OC
OpenEye OEToolkits 2.0.7C[C@]1(C(=O)NC(=O)N1)CCc2ccc(cc2)OC
CACTVS 3.385COc1ccc(CC[C]2(C)NC(=O)NC2=O)cc1
FormulaC13 H16 N2 O3
Name(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
ChEMBL
DrugBank
ZINCZINC000000125701
PDB chain7fsg Chain D Residue 501 [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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PDB7fsg SDCBP PanDDA analysis group deposition
Resolution2.02 Å
Binding residue
(original residue number in PDB)		Q253 I257
Binding residue
(residue number reindexed from 1)		Q146 I150
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7fsg, PDBe:7fsg, PDBj:7fsg
PDBsum7fsg
PubMed
UniProtO00560|SDCB1_HUMAN Syntenin-1 (Gene Name=SDCBP)

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