Structure of PDB 8ikh Chain R Binding Site BS01

Receptor Information
>8ikh Chain R (length=265) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ECFMVLNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHF
IGSLAVADLLGSVIFVYSFIDFHRKDSRNVFLFKLGGVTASFTASVGSLF
LTAIDRYISIHRPLAYKRIVTRPKAVVAFCLMWTIAIVIAVLPLLGWNCI
DETYLMFWIGVTSVLLLFIVYAYMYILWKAHSHAVRMIQRGARMDIRLAK
TLVLILVVLIICWGPLLAIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVN
PIIYALRSKDLRHAF
Ligand information
Ligand IDQ2L
InChIInChI=1S/C23H20N2O3/c1-28-21-14-8-6-11-17(21)19(15-25(26)27)22-18-12-5-7-13-20(18)24-23(22)16-9-3-2-4-10-16/h2-14,19,24H,15H2,1H3/t19-/m0/s1
InChIKeyRHDQEIKBUOYTCY-IBGZPJMESA-N
SMILES
SoftwareSMILES
CACTVS 3.385COc1ccccc1[C@H](C[N+]([O-])=O)c2c([nH]c3ccccc23)c4ccccc4
OpenEye OEToolkits 2.0.7COc1ccccc1[C@H](C[N+](=O)[O-])c2c3ccccc3[nH]c2c4ccccc4
CACTVS 3.385COc1ccccc1[CH](C[N+]([O-])=O)c2c([nH]c3ccccc23)c4ccccc4
OpenEye OEToolkits 2.0.7COc1ccccc1C(C[N+](=O)[O-])c2c3ccccc3[nH]c2c4ccccc4
FormulaC23 H20 N2 O3
Name3-[(1R)-1-(2-methoxyphenyl)-2-nitro-ethyl]-2-phenyl-1H-indole
ChEMBL
DrugBank
ZINC
PDB chain8ikh Chain R 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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PDB8ikh Cryo-EM structure of human receptor with G proteins
Resolution3.3 Å
Binding residue
(original residue number in PDB)		L165 F191 G194 G195 I245
Binding residue
(residue number reindexed from 1)		L60 F83 G86 G87 I137
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8ikh, PDBe:8ikh, PDBj:8ikh
PDBsum8ikh
PubMed38830102
UniProtP21554|CNR1_HUMAN Cannabinoid receptor 1 (Gene Name=CNR1)

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