On Target NPY5R_HUMAN 0.33173078/CHEMBL492377
For the given ligand Aprepitant, we have found in our database that, being scored 0.33173078, the most similar ligand is CHEMBL492377. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL492377 (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 | Fc1ccc(cc1)C2(CNC(=N2)C3=CC=CC(=O)N3)c4ccc(F)cc4 |
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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 | 00000002 00040010 00304100 1a010e20 40040020 00100055 10200800 13203001 06000380 40090863 1c230014 40008400 00008802 00209008 00160400 023c0104 00008800 02000182 00200000 00300200 40220001 38238000 60800000 83500810 00100088 e0100000 40000044 c0000001 0e00019c 00068002 60440080 04106600 |