Structure of PDB 6i8l Chain B Binding Site BS01

Receptor Information
>6i8l 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]
NIVGCRIQHGWKEGNGPVTQWKGTVLDQVPVNPSLYLIKYDGFDCVYGLE
LNKDERVSALEVLPDRVATLADTMIGKAVEHMFETEDGSKDEWRGMVLAR
APVMNTWFYITYEKDPVLYMYQLLDDYKEGDLRIMPDSSLVGKQVEYAKS
KRTGMVIHQVEAKPSVYFIKFDDDFHIYVYDLVKTSAENLYFQ
Ligand information
Ligand IDH7Q
InChIInChI=1S/C27H33N3O2/c28-26-27(10-3-4-11-27)22-14-24(32-18-19-8-9-19)25(15-23(22)29-26)31-13-5-12-30-16-20-6-1-2-7-21(20)17-30/h1-2,6-7,14-15,19H,3-5,8-13,16-18H2,(H2,28,29)
InChIKeyBHUFHRHQTFNIPQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc2c(c1)CN(C2)CCCOc3cc4c(cc3OCC5CC5)C6(CCCC6)C(=N4)N
CACTVS 3.385NC1=Nc2cc(OCCCN3Cc4ccccc4C3)c(OCC5CC5)cc2C16CCCC6
FormulaC27 H33 N3 O2
Name5'-(cyclopropylmethoxy)-6'-[3-(1,3-dihydroisoindol-2-yl)propoxy]spiro[cyclopentane-1,3'-indole]-2'-amine
ChEMBLCHEMBL4476309
DrugBank
ZINC
PDB chain6i8l Chain B Residue 304 [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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PDB6i8l A Chemical Probe for Tudor Domain Protein Spindlin1 to Investigate Chromatin Function.
Resolution1.58 Å
Binding residue
(original residue number in PDB)		D95 H139 F141 W151 Y170 Y179 D184
Binding residue
(residue number reindexed from 1)		D44 H81 F83 W93 Y112 Y121 D126
Annotation score1
Binding affinityPDBbind-CN: -logKd/Ki=6.41,IC50=0.39uM
BindingDB: IC50=390nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0007276 gamete generation

View graph for
Biological Process
External links
PDB RCSB:6i8l, PDBe:6i8l, PDBj:6i8l
PDBsum6i8l
PubMed31550156
UniProtQ9Y657|SPIN1_HUMAN Spindlin-1 (Gene Name=SPIN1)

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