Structure of PDB 6i8y Chain A Binding Site BS01

Receptor Information
>6i8y Chain A (length=190) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RNIVGCRIQHGWKEGNGPVTQWKGTVLDQVPVNPSLYLIKYDGFDCVYGL
ELNKDERVSALEVLPDRVALADTMIGKAVEHMFETEDGSKDEWRGMVLAR
APVMNTWFYITYEKDPVLYMYQLLDDYKEGDLRIMPSLVGKQVEYAKKRT
GMVIHQVEAKPSVYFIKFDDDFHIYVYDLVKTSAENLYFQ
Ligand information
Ligand ID2OD
InChIInChI=1S/C19H27N3O2/c1-23-16-12-14-15(21-18(20)19(14)6-4-7-19)13-17(16)24-11-5-10-22-8-2-3-9-22/h12-13H,2-11H2,1H3,(H2,20,21)
InChIKeyBKCDJTRMYWSXMC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O(c2cc1N=C(N)C3(c1cc2OC)CCC3)CCCN4CCCC4
CACTVS 3.385COc1cc2c(cc1OCCCN3CCCC3)N=C(N)C24CCC4
OpenEye OEToolkits 1.7.6COc1cc2c(cc1OCCCN3CCCC3)N=C(C24CCC4)N
FormulaC19 H27 N3 O2
Name5'-methoxy-6'-[3-(pyrrolidin-1-yl)propoxy]spiro[cyclobutane-1,3'-indol]-2'-amine
ChEMBLCHEMBL3109630
DrugBank
ZINCZINC000095921314
PDB chain6i8y 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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PDB6i8y A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function.
Resolution1.52 Å
Binding residue
(original residue number in PDB)		H139 F141 W151 Y170 Y179 D184
Binding residue
(residue number reindexed from 1)		H81 F83 W93 Y112 Y121 D126
Annotation score1
Binding affinityBindingDB: Kd=110nM,IC50=186nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0007276 gamete generation

View graph for
Biological Process
External links
PDB RCSB:6i8y, PDBe:6i8y, PDBj:6i8y
PDBsum6i8y
PubMed31550156
UniProtQ9Y657|SPIN1_HUMAN Spindlin-1 (Gene Name=SPIN1)

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