On Target 5HT1E_HUMAN 0.24423963/CHEMBL103479
For the given ligand Aprepitant, we have found in our database that, being scored 0.24423963, the most similar ligand is CHEMBL103479. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL103479 (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 | CN1CCC(CC1)c2c[nH]c3ccc(NC(=O)c4ccc(F)cc4)nc23 |
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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 01800a00 00184180 42810610 000c1240 00000010 0000a000 22001000 00400900 200808c0 08380004 5001e000 08008802 00501800 00240840 000c0004 08040000 02004108 08600400 00b00205 40100100 5c028608 21812840 80700014 00042000 80000080 08008080 90000085 00008108 0006980b 80041200 00000720 |