Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T69685 | Target Info | |||
| Target Name | Glycine transporter GlyT-1 (SLC6A9) | ||||
| Synonyms | Solute carrier family 6 member 9; Sodium- and chloride-dependent glycine transporter 1; Glycine type-1 transporter; Glycine transporter type 1; GlyT1; GlyT-1 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | SLC6A9 | ||||
| Biochemical Class | Neurotransmitter:sodium symporter | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | [5-Fluoranyl-6-(oxan-4-yloxy)-1,3-dihydroisoindol-2-yl]-[5-methylsulfonyl-2-[2,2,3,3,3-pentakis(fluoranyl)propoxy]phenyl]methanone | Ligand Info | |||
| Canonical SMILES | CS(=O)(=O)C1=CC(=C(C=C1)OCC(C(F)(F)F)(F)F)C(=O)N2CC3=CC(=C(C=C3C2)F)OC4CCOCC4 | ||||
| InChI | 1S/C24H23F6NO6S/c1-38(33,34)17-2-3-20(36-13-23(26,27)24(28,29)30)18(10-17)22(32)31-11-14-8-19(25)21(9-15(14)12-31)37-16-4-6-35-7-5-16/h2-3,8-10,16H,4-7,11-13H2,1H3 | ||||
| InChIKey | FARKUFWPLXRSDR-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 11721096 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6ZBV Inward-open structure of human glycine transporter 1 in complex with a benzoylisoindoline inhibitor and sybody Sb_GlyT1#7 | ||||||
| Method | X-ray diffraction | Resolution | 3.40 Å | Mutation | Yes | [1] |
| PDB Sequence |
RGNWGNQIEF
109 VLTSVGYAVG119 LGNVWRFPYL129 CYRNGGGAFM139 FPYFIMLIFC149 GIPAFFMELS 159 FGQFASQGCL169 GVWRISPMFK179 GVGYGMMVVS189 TYIGIYYNVV199 ICIAFYYFFS 209 SMTHVLPWAY219 CNNPWNTHDC229 AGVLDLTHSL259 QRTSPSEEYW269 RLYVLKLSDD 279 IGNFGEVRLP289 LLGCLGVAWL299 VVFLCLIRGV315 VYFTATFPYV325 VLTILFVRGV 335 TLEGAFDGIM345 YYLTPQWDKI355 LEAKVWGDAA365 SQAFYSLGCA375 WGGLITMASY 385 NKFHNNCYRD395 SVIISITNCA405 TSVYAGFVIF415 SILGFMANHL425 GVDVSRVADH 435 GPGLAFVAYP445 EALTLLPISP455 LWSLLFFFML465 ILLGLGTQFC475 LLETLVTAIV 485 DEVGNEWILQ495 KKTYVTLGVA505 VAGFLLGIPL515 TSQAGIYWLL525 LMDNYAASFS 535 LVVISCIMCV545 AIMYIYGHRN555 YFQDIQMMLG565 FPPPLFFQIC575 WRFVSPAIIF 585 FILVFTVIQY595 QPITYNHYQY605 PGWAVAIGFL615 MALSSVLCIP625 LYAMFRLART 635 DGDTLLQRLK645 NATKPSRDWG655 PALLEHRTG
|
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|
|
TYR116
2.594
ALA117
2.564
VAL118
3.355
GLY119
2.027
LEU120
3.231
GLY121
1.840
ASN122
2.615
PHE154
2.908
LEU158
2.597
TYR196
3.337
GLN367
4.744
TYR370
2.663
SER371
2.218
LEU372
3.944
GLY373
2.174
|
|||||
| PDB ID: 6ZPL Inward-open structure of human glycine transporter 1 in complex with a benzoylisoindoline inhibitor, sybody Sb_GlyT1#7 and bound Na and Cl ions. | ||||||
| Method | X-ray diffraction | Resolution | 3.94 Å | Mutation | Yes | [1] |
| PDB Sequence |
IEFVLTSVGY
116 AVGLGNVWRF126 PYLCYRNGGG136 AFMFPYFIML146 IFCGIPAFFM156 ELSFGQFASQ 166 GCLGVWRISP176 MFKGVGYGMM186 VVSTYIGIYY196 NVVICIAFYY206 FFSSMTHVLP 216 WAYCNNPWNT226 HDCAGVLDHS258 LQRTSPSEEY268 WRLYVLKLSD278 DIGNFGEVRL 288 PLLGCLGVAW298 LVVFLCLIRG308 VVYFTATFPY324 VVLTILFVRG334 VTLEGAFDGI 344 MYYLTPQWDK354 ILEAKVWGDA364 ASQAFYSLGC374 AWGGLITMAS384 YNKFHNNCYR 394 DSVIISITNC404 ATSVYAGFVI414 FSILGFMANH424 LGVDVSRVAD434 HGPGLAFVAY 444 PEALTLLPIS454 PLWSLLFFFM464 LILLGLGTQF474 CLLETLVTAI484 VDEVGNEWIL 494 QKKTYVTLGV504 AVAGFLLGIP514 LTSQAGIYWL524 LLMDNYAASF534 SLVVISCIMC 544 VAIMYIYGHR554 NYFQDIQMML564 GFPPPLFFQI574 CWRFVSPAII584 FFILVFTVIQ 594 YQPITYNHYQ604 YPGWAVAIGF614 LMALSSVLCI624 PLYAMFRLAR634 TDGDTLLQRL 644 KNATKPSRDW654 GPALLEHRTG664
|
|||||
|
|
TYR116
2.527
ALA117
3.047
VAL118
2.934
GLY119
2.008
LEU120
3.399
GLY121
2.293
ASN122
2.458
PHE154
2.746
LEU158
2.518
GLN162
4.976
TYR196
3.727
TYR370
3.210
SER371
2.852
LEU372
3.601
GLY373
2.391
TRP376
2.614
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural insights into the inhibition of glycine reuptake. Nature. 2021 Mar;591(7851):677-681. | ||||
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