Structure of PDB 7epf Chain A Binding Site BS02

Receptor Information
>7epf Chain A (length=387) Species: 882,9606 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GDAWAVGPVTIACLGALATLFVLGVFVRHNATPVVKASGRELCYILLGGV
FLCYCMTFIFIAKPSTAVCTLRRLGLGTAFSVCYSALLTKTYRIARIFGA
KALIVYGSTTGNTEYTAETIARELADAGYEVDSRDAASVEAGGLFEGFDL
VLLGCSTWGDDSIELQDDFIPLFDSLEETGAQGRKVACFGCGDSSWEYFC
GAVDAIEEKLKNLGAEIVQDGLRIDGDPRAARDDIVGWAHDVRGAIPRFI
SPASQVAICLALISGQLLIVVAWLVVEAPGTRCNHRDASMLGSLAYNVLL
IALCTLYAFKTRKCPENFNEAKFIGFTMYTTCIIWLAFLPIFYVTSSDYR
VQTTTMCVSVSLSGSVVLGCLFAPKLYIILFQPQKNV
Ligand information
Ligand IDJ9U
InChIInChI=1S/C21H21F2N5O/c1-12-20-16(6-8-28(12)11-14-5-7-25-27(14)2)17(10-19(26-20)21(24)29)15-4-3-13(22)9-18(15)23/h3-5,7,9-10,12H,6,8,11H2,1-2H3,(H2,24,29)/t12-/m1/s1
InChIKeyJPQHCBORHNWOOF-GFCCVEGCSA-N
SMILES
SoftwareSMILES
CACTVS 3.385C[C@H]1N(CCc2c1nc(cc2c3ccc(F)cc3F)C(N)=O)Cc4ccnn4C
OpenEye OEToolkits 2.0.7CC1c2c(c(cc(n2)C(=O)N)c3ccc(cc3F)F)CCN1Cc4ccnn4C
OpenEye OEToolkits 2.0.7C[C@@H]1c2c(c(cc(n2)C(=O)N)c3ccc(cc3F)F)CCN1Cc4ccnn4C
CACTVS 3.385C[CH]1N(CCc2c1nc(cc2c3ccc(F)cc3F)C(N)=O)Cc4ccnn4C
FormulaC21 H21 F2 N5 O
Name(8~{R})-4-[2,4-bis(fluoranyl)phenyl]-8-methyl-7-[(2-methylpyrazol-3-yl)methyl]-6,8-dihydro-5~{H}-1,7-naphthyridine-2-carboxamide
ChEMBL
DrugBank
ZINC
PDB chain7epf Chain A Residue 1202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7epf Structures of human mGlu2 and mGlu7 homo- and heterodimers.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		L639 F643 R724 M728 S731 L732 N735 W773 M794 S797 V798
Binding residue
(residue number reindexed from 1)		L76 F80 R286 M290 S293 L294 N297 W335 M356 S359 V360
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
GO:0009055 electron transfer activity
GO:0010181 FMN binding
Biological Process
GO:0007186 G protein-coupled receptor signaling pathway
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7epf, PDBe:7epf, PDBj:7epf
PDBsum7epf
PubMed34135509
UniProtP00323|FLAV_NITV2 Flavodoxin (Gene Name=DVU_2680);
Q14416|GRM2_HUMAN Metabotropic glutamate receptor 2 (Gene Name=GRM2)

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