Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T02719 | Target Info | |||
| Target Name | Metabotropic glutamate receptor 3 (mGluR3) | ||||
| Synonyms | mGLUR3; Group III metabotropic glutamate receptor; GPRC1C | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | GRM3 | ||||
| Biochemical Class | GPCR glutamate | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | (1S,2S,4S,5R,6S)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid | Ligand Info | |||
| Canonical SMILES | COC1=CC=CC(=C1)C(=O)NC2CC(C3C2C3C(=O)O)(C(=O)O)N | ||||
| InChI | 1S/C16H18N2O6/c1-24-8-4-2-3-7(5-8)13(19)18-9-6-16(17,15(22)23)12-10(9)11(12)14(20)21/h2-5,9-12H,6,17H2,1H3,(H,18,19)(H,20,21)(H,22,23)/t9-,10-,11-,12-,16-/m0/s1 | ||||
| InChIKey | UXNRHIJPZNNDDJ-VZAVHYRXSA-N | ||||
| PubChem Compound ID | 60096231 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7WIH Cryo-EM structure of LY2794193-bound mGlu3 | ||||||
| Method | Electron microscopy | Resolution | 3.68 Å | Mutation | No | [1] |
| PDB Sequence |
REIKIEGDLV
40 LGGLFPINEC57 GRINEDRGIQ67 RLEAMLFAID77 EINKDDYLLP87 GVKLGVHILD 97 TCSRDTYALE107 QSLEFVRASL117 LIAGVIGGSY150 SSVSIQVANL160 LRLFQIPQIS 170 YASTSAKLSD180 KSRYDYFART190 VPPDFYQAKA200 MAEILRFFNW210 TYVSTVASEG 220 DYGETGIEAF230 EQEARLRNIC240 IATAEKVGRS250 NIRKSYDSVI260 RELLQKPNAR 270 VVVLFMRSDD280 SRELIAAASR290 ANASFTWVAS300 DGWGAQESII310 KGSEHVAYGA 320 ITLELASQPV330 RQFDRYFQSL340 NPYNNHRNPW350 FRDFWEQKFQ360 CSLRNHRRVC 373 DKHLAIDSSN383 YEQESKIMFV393 VNAVYAMAHA403 LHKMQRTLCP413 NTTKLCDAMK 423 ILDGKKLYKD433 YLLKINFTAP443 FNPNKDADSI453 VKFDTFGDGM463 GRYNVFNFQN 473 VGGKYSYLKV483 GHWAETLSLD493 VNSIHWSRNS503 VPTSQCSDPC513 APNEMKNMQP 523 GDVCCWICIP533 CEPYEYLADE543 FTCMDCGSGQ553 WPTADLTGCY563 DLPEDYIRWE 573 DAWAIGPVTI583 ACLGFMCTCM593 VVTVFIKHNN603 TPLVKASGRE613 LCYILLFGVG 623 LSYCMTFFFI633 AKPSPVICAL643 RRLGLGSSFA653 ICYSALLTKT663 NCIARQVFIC 692 LGLILVQIVM702 VSVWLILEAP712 GTRRYTLAEK722 RETVILKCNV732 KDSSMLISLT 742 YDVILVILCT752 VYAFKTRKCP762 ENFNEAKFIG772 FTMYTTCIIW782 LAFLPIFYVT 792 SSDYRVQTTT802 MCISVSLSGF812 VVLGCLFAPK822 V
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| PDB ID: 6B7H Structure of mGluR3 with an agonist | ||||||
| Method | X-ray diffraction | Resolution | 2.82 Å | Mutation | No | [2] |
| PDB Sequence |
RREIKIGDLV
40 LGGLFPINEK50 EECGRINEDR64 GIQRLEAMLF74 AIDEINKDDY84 LLPGVKLGVH 94 ILDTCSRDTY104 ALEQSLEFVR114 ASLPLLIAGV145 IGGSYSSVSI155 QVANLLRLFQ 165 IPQISYASTS175 AKLSDKSRYD185 YFARTVPPDF195 YQAKAMAEIL205 RFFNWTYVST 215 VASEGDYGET225 GIEAFEQEAR235 LRNISIATAE245 KVGRSNIRKS255 YDSVIRELLQ 265 KPNARVVVLF275 MRSDDSRELI285 AAASRANASF295 TWVASDGWGA305 QESIIKGSEH 315 VAYGAITLEL325 ASQPVRQFDR335 YFQSLNPYNN345 HRNPWFRDFW355 EQKFQCSLRV 372 CDKHLAIDSS382 NYEQESKIMF392 VVNAVYAMAH402 ALHKMQRTLC412 PNTTKLCDAM 422 KILDGKKLYK432 DYLLKINFTA442 PDADSIVKFD457 TFGDGMGRYN467 VFNFQNVGGK 477 YSYLKVGHWA487 ETLSLDVNSI497 HWSRNSVPTS507 E
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GLU49
4.252
ARG64
3.158
ARG68
2.830
SER100
3.739
SER149
2.639
TYR150
3.174
SER151
2.572
SER152
4.251
ALA172
2.711
SER173
3.155
THR174
2.887
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural basis of the activation of metabotropic glutamate receptor 3. Cell Res. 2022 Jul;32(7):695-698. | ||||
| REF 2 | Synthesis and Pharmacological Characterization of C4(beta)-Amide-Substituted 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylates. Identification of (1 S,2 S,4 S,5 R,6 S)-2-Amino-4-[(3-methoxybenzoyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic Acid (LY2794193), a Highly Potent and Selective mGlu(3) Receptor Agonist. J Med Chem. 2018 Mar 22;61(6):2303-2328. | ||||
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