On Target NPY1R_HUMAN 0.2748538/CHEMBL2046863
For the given ligand Aprepitant, we have found in our database that, being scored 0.2748538, the most similar ligand is CHEMBL2046863. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL2046863 (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 | C[C@@H]1C[C@@H]2[C@H](C1)[C@]2(N3CCN(CC3)c4ccccc4)c5ccc(F)cc5 |
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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 | 00004002 01000000 00100122 06010600 00000000 00000010 00000000 22001000 00000800 00090ac0 08300004 40018000 00000802 01203000 00000440 00000000 00040000 02000180 0a002000 00100201 40100100 38008010 20000021 02500012 00000000 c0000000 00000000 90000081 08008102 01068002 00060000 00000600 |