On Target TLR4_HUMAN 0.24267782/CHEMBL2364541
For the given ligand aprepitant, we have found in our database that, being scored 0.24267782, the most similar ligand is CHEMBL2364541. Check out the elaboration below.
| aprepitant (Given Ligand) | CHEMBL2364541 (Similar Ligand) |
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| C[C@@H](O[C@H]2OCCN(Cc1nc(=O)[nH][nH]1)[C@H]2c3ccc(F)cc3)c4cc(C(F)(F)F)cc(C(F)(F)F)c4 | [Na+].[Na+].[Na+].[Na+].CCCCCCCCCCCC(=O)CC(=O)N[C@H]1[C@@H](OP(=O)([O-])[O-])O[C@H](CO[C@@H]2O[C@H](OC)[C@@H](OP(=O)([O-])[O-])[C@H](OCC[C@@H](CCCCCCC)OC)[C@H]2NC(=O)CCCCCCCCC\C=C/CCCCCC)[C@@H](O)[C@@H]1OCCCCCCCCCC |
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| 00000018 000d0008 40100100 82010e00 090000d1 00104014 00801c00 0a003441 04200900 00180870 0c211020 44008802 00008802 01011000 00261408 0228210c 18008040 02000182 04400000 40300000 00010020 08008030 33000000 00400010 10000400 c0002400 00080000 b4020001 00008306 00068002 c4540084 02002600 | 00010040 01005000 00100510 81810f00 803800c5 00000000 00007800 28002442 00206100 011000a0 00200000 c0019000 0c02800a 038200a0 000a1408 00299e08 108e00e0 00000000 11c0a010 0000720b 00104020 14562e30 37008080 08100018 10221401 00000000 16c04200 bc010021 00000202 0004001d 25e20000 0000aa00 |