Structure of PDB 8gad Chain B Binding Site BS01

Receptor Information
>8gad Chain B (length=104) Species: 32630 (synthetic construct) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEEEIEEAYDLVEEAEKTGDTSLLKKAKELLDKVAEEATKSGNPILLIRV
IIILIKIVRNSGDPSVAALARELLEKLEEIAEKEGNRFIEAMGEALRTQI
ERAL
Ligand information
Ligand IDIND
InChIInChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
InChIKeySIKJAQJRHWYJAI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[nH]1ccc2ccccc12
OpenEye OEToolkits 1.5.0c1ccc2c(c1)cc[nH]2
ACDLabs 10.04c1cccc2c1ccn2
FormulaC8 H7 N
NameINDOLE
ChEMBLCHEMBL15844
DrugBankDB04532
ZINCZINC000014516984
PDB chain8gad Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8gad Design of High Affinity Binders to Convex Protein Target Sites.
Resolution1.88 Å
Binding residue
(original residue number in PDB)		N86 I89
Binding residue
(residue number reindexed from 1)		N86 I89
Annotation score4
External links