On Target GRM3_HUMAN 0.28977272/CHEMBL3927108
For the given ligand Aprepitant, we have found in our database that, being scored 0.28977272, the most similar ligand is CHEMBL3927108. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL3927108 (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 | Cc1cc(CO[C@@H]2[C@H](O)[C@H]3[C@@H]([C@H]3[C@]2(N)C(=O)O)C(=O)O)ccc1F |
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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 | 00070000 01000000 80100100 82010700 003c0051 00204010 00000000 00000000 00000100 010208c0 00001000 4001b000 14008038 03811000 00001000 02081008 00800200 02000200 03c02000 40100001 00000020 18000a30 07000000 08400010 00000400 80002000 00080000 00000021 00000200 01068000 40020004 02000200 |