On Target MC5R_HUMAN 0.32994923/CHEMBL3890450
For the given ligand Aprepitant, we have found in our database that, being scored 0.32994923, the most similar ligand is CHEMBL3890450. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL3890450 (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 | CCCOC(CN1CC[C@H](CNC(=O)c2ccc3ccccc3c2)N[C@H](CCCNC(=N)N)C1=O)c4ccccc4 |
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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 | 00010000 01007c00 00100100 84010e00 00000090 00004000 00000000 2200300c 00200380 000909e2 08200000 4003b000 06009812 00012001 80181408 02180008 10000000 02000000 00000000 00000201 08000020 382f8628 13000003 8350001c 10000400 c0002000 40880000 90000001 0c000310 00060013 e00c4000 02002600 |