On Target OPRM_MOUSE 0.36190477/CHEMBL4075409
For the given ligand aprepitant, we have found in our database that, being scored 0.36190477, the most similar ligand is CHEMBL4075409. Check out the elaboration below.
| aprepitant (Given Ligand) | CHEMBL4075409 (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 | Oc1ccc2CC3N(CC=C)CCC4(C5[C@H]6CN(C5CCC34O6)C(=O)c7ccccc7)c2c1 |
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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 | 00000048 43005a08 20100502 80010700 001800e1 40000012 02001000 22001441 00100880 000818c0 08340000 d0818000 00008802 01a90000 000c1428 020c1008 18a00200 02000100 06c02000 00020201 00010120 18368630 130040c0 8150001c 30000401 c0000001 009a0200 90000001 04000302 0006080b a4060000 02002e00 |