Structure of PDB 7fsx Chain C Binding Site BS01

Receptor Information
>7fsx Chain C (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 IDI8A
InChIInChI=1S/C12H22N2O/c1-11(2)8-14(12(11,3)4)10(15)13-7-9-5-6-9/h9H,5-8H2,1-4H3,(H,13,15)
InChIKeySMWGIHJAGGUFFL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC1(CN(C1(C)C)C(=O)NCC2CC2)C
ACDLabs 12.01CC1(C)N(CC1(C)C)C(=O)NCC1CC1
CACTVS 3.385CC1(C)CN(C(=O)NCC2CC2)C1(C)C
FormulaC12 H22 N2 O
NameN-(cyclopropylmethyl)-2,2,3,3-tetramethylazetidine-1-carboxamide
ChEMBL
DrugBank
ZINCZINC000170015545
PDB chain7fsx Chain C 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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PDB7fsx SDCBP PanDDA analysis group deposition
Resolution1.91 Å
Binding residue
(original residue number in PDB)		H208 F211
Binding residue
(residue number reindexed from 1)		H103 F106
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:7fsx, PDBe:7fsx, PDBj:7fsx
PDBsum7fsx
PubMed
UniProtO00560|SDCB1_HUMAN Syntenin-1 (Gene Name=SDCBP)

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