On Target NPFF1_HUMAN 0.24279836/CHEMBL472833
For the given ligand Aprepitant, we have found in our database that, being scored 0.24279836, the most similar ligand is CHEMBL472833. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL472833 (Similar Ligand) |
|---|---|
| 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 | CC(C)C[C@H](\C=C\CNC(=O)[C@H](Cc1ccccc1)NC(=O)c2ccc(F)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)N |
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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 | 00018012 0900ba00 01100100 47810e10 00041200 00000010 00182040 2200340c 00600ac0 001908ca 08300004 4003b000 1e029912 00413801 80200440 00140304 20000000 02000140 00200408 00101201 40000100 38278628 20808003 9350001c 00043800 c0000000 48484000 90000101 0c000110 0006840b ac0c4200 02002620 |