Ligands
Function
Antagonist
Allosteric antagonist
Reference
| Ligand | Amino Acid | Generic Number | Segment | Interaction Type |
|---|---|---|---|---|
| BMS-681 | V37 | 1.27x27 | TM1 | hydrophobic |
| BMS-681 | L45 | 1.35x35 | TM1 | hydrophobic |
| BMS-681 | Y49 | 1.39x39 | TM1 | polar (hydrogen bond) |
| BMS-681 | Y49 | 1.39x39 | TM1 | Van der Waals |
| CCR2-RA-[R] | L67 | 1.57x57 | TM1 | hydrophobic |
| CCR2-RA-[R] | L81 | 2.43x43 | TM2 | hydrophobic |
| BMS-681 | W98 | 2.60x60 | TM2 | Van der Waals |
| BMS-681 | W98 | 2.60x60 | TM2 | hydrophobic |
| BMS-681 | T117 | 3.29x29 | TM3 | Van der Waals |
| BMS-681 | Y120 | 3.32x32 | TM3 | Van der Waals |
| BMS-681 | Y120 | 3.32x32 | TM3 | hydrophobic |
| BMS-681 | C190 | 45.50x50 | ECL2 | Van der Waals |
| CCR2-RA-[R] | A241 | 6.33x33 | TM6 | hydrophobic |
| CCR2-RA-[R] | V244 | 6.36x36 | TM6 | hydrophobic |
| BMS-681 | Q288 | 7.36x35 | TM7 | Van der Waals |
| BMS-681 | Q288 | 7.36x35 | TM7 | polar (hydrogen bond with backbone) |
| BMS-681 | V289 | 7.37x36 | TM7 | Van der Waals |
| BMS-681 | E291 | 7.39x38 | TM7 | Van der Waals |
| BMS-681 | T292 | 7.40x39 | TM7 | polar (hydrogen bond) |
| BMS-681 | M295 | 7.43x42 | TM7 | Van der Waals |
| BMS-681 | M295 | 7.43x42 | TM7 | hydrophobic |
| CCR2-RA-[R] | Y305 | 7.53x53 | TM7 | aromatic (face-to-edge) |
| CCR2-RA-[R] | E310 | 8.48x48 | H8 | Van der Waals |
| CCR2-RA-[R] | E310 | 8.48x48 | H8 | polar (hydrogen bond with backbone) |
| CCR2-RA-[R] | K311 | 8.49x49 | H8 | polar (hydrogen bond with backbone) |
| CCR2-RA-[R] | K311 | 8.49x49 | H8 | Van der Waals |
| CCR2-RA-[R] | F312 | 8.50x50 | H8 | polar (hydrogen bond with backbone) |
| CCR2-RA-[R] | F312 | 8.50x50 | H8 | Van der Waals |
| CCR2-RA-[R] | Y315 | 8.53x53 | H8 | hydrophobic |
| CCR2-RA-[R] | Y315 | 8.53x53 | H8 | Van der Waals |
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|
GPCRdb(A)
|
GPCRdb(A)
|
CCR2
|
|---|---|---|
| TM1 | ||
| 1x27 | 1.27x27 | V37 |
| 1x35 | 1.35x35 | L45 |
| 1x39 | 1.39x39 | Y49 |
| 1x57 | 1.57x57 | L67 |
| TM2 | ||
| 2x43 | 2.43x43 | L81 |
| 2x60 | 2.60x60 | W98 |
| TM3 | ||
| 3x29 | 3.29x29 | T117 |
| 3x32 | 3.32x32 | Y120 |
| ECL2 | ||
| 45x50 | 45.50x50 | C190 |
| TM6 | ||
| 6x33 | 6.33x33 | A241 |
| 6x36 | 6.36x36 | V244 |
| TM7 | ||
| 7x35 | 7.36x35 | Q288 |
| 7x36 | 7.37x36 | V289 |
| 7x38 | 7.39x38 | E291 |
| 7x39 | 7.40x39 | T292 |
| 7x42 | 7.43x42 | M295 |
| 7x53 | 7.53x53 | Y305 |
| H8 | ||
| 8x48 | 8.48x48 | E310 |
| 8x49 | 8.49x49 | K311 |
| 8x50 | 8.50x50 | F312 |
| 8x53 | 8.53x53 | L315 |