Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T61722 | Target Info | |||
| Target Name | Prostaglandin D2 receptor 2 (PTGDR2) | ||||
| Synonyms | PTGDR2; Chemoattractant receptor-homologous molecule expressed on Th2 cells; CD294 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | PTGDR2 | ||||
| Biochemical Class | GPCR rhodopsin | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Oleic acid | Ligand Info | |||
| Canonical SMILES | CCCCCCCCC=CCCCCCCCC(=O)O | ||||
| InChI | 1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9- | ||||
| InChIKey | ZQPPMHVWECSIRJ-KTKRTIGZSA-N | ||||
| PubChem Compound ID | 445639 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6D27 Crystal structure of the prostaglandin D2 receptor CRTH2 with CAY10471 | ||||||
| Method | X-ray diffraction | Resolution | 2.74 Å | Mutation | Yes | [1] |
| PDB Sequence |
ATLKPLCPIL
14 EQMSRLATSI28 RYIDHAAVLL38 HGLASLLGLV48 ENGVILFVVG58 CRMRQTVVTT 68 WVLHLALSDL78 LASASLPFFT88 YFLAVGHSWE98 LGTTFCKLHS108 SIFFLNMFAS 118 GFLLSAISLD128 RCLQVVRPVW138 AQNHRTVAAA148 HKVCLVLWAL158 AVLNTVPYFV 168 FRDTISRLDG178 RIMCYYNVLL188 LNPGPDRDAT198 CNSRQAALAV208 SKFLLAFLVP 218 LAIIASSHAA228 VSLRLQHRAD1239 LGLQHRNIFE1249 MLRIDEGGGS1259 GGDEAEKLFN 1269 QDVDAAVRGI1279 LRNAKLKPVY1289 DSLDAVRRAA1299 LINMVFQMGE1309 TGVAGFTNSL 1319 RMLQQKRWDE1329 AAVNLAKSRW1339 YNQTPNRAKR1349 VITTFRTGTW1359 DAYRRRPGRF 2244 VRLVAAVVAA2254 FALCWGPYHV2264 FSLLEARAHA2274 NPGLRPLVWR2284 GLPFVTSLAF 2294 FNSVANPVLY2304 VLTPDMLRKL2315 RRSLRTVLES2325 VL
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GLY51
3.945
LEU54
3.891
PHE55
4.552
GLY58
4.286
CYS59
4.103
GLN63
4.126
THR68
4.377
LEU71
3.630
HIS72
3.488
LEU78
4.592
HIS149
2.394
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| PDB ID: 6D26 Crystal structure of the prostaglandin D2 receptor CRTH2 with fevipiprant | ||||||
| Method | X-ray diffraction | Resolution | 2.80 Å | Mutation | Yes | [1] |
| PDB Sequence |
ATLKPLCPIL
14 EQMSRLQSHS24 ATSIRYIDHA34 AVLLHGLASL44 LGLVENGVIL54 FVVGCRMRQT 64 VVTTWVLHLA74 LSDLLASASL84 PFFTYFLAVG94 HSWELGTTFC104 KLHSSIFFLN 114 MFASGFLLSA124 ISLDRCLQVV134 RPVWAQNHRT144 VAAAHKVCLV154 LWALAVLNTV 164 PYFVFRDTIS174 RLDGRIMCYY184 NVLLLNPGPD194 RDATCNSRQA204 ALAVSKFLLA 214 FLVPLAIIAS224 SHAAVSLRLQ234 HRADLGLQHR1245 NIFEMLRIDE1255 GGGSGGDEAE 1265 KLFNQDVDAA1275 VRGILRNAKL1285 KPVYDSLDAV1295 RRAALINMVF1305 QMGETGVAGF 1315 TNSLRMLQQK1325 RWDEAAVNLA1335 KSRWYNQTPN1345 RAKRVITTFR1355 TGTWDAYRRR 2240 PGRFVRLVAA2250 VVAAFALCWG2260 PYHVFSLLEA2270 RAHANPGLRP2280 LVWRGLPFVT 2290 SLAFFNSVAN2300 PVLYVLTPDM2311 LRKLRRSLRT2321 VLESVL
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structures of the Human PGD(2) Receptor CRTH2 Reveal Novel Mechanisms for Ligand Recognition. Mol Cell. 2018 Oct 4;72(1):48-59.e4. | ||||
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