On Target OPRD_HUMAN 0.3723404/CHEMBL3609618
For the given ligand Aprepitant, we have found in our database that, being scored 0.3723404, the most similar ligand is CHEMBL3609618. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL3609618 (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 | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)OCc3cc(cc(c3)C(F)(F)F)C(F)(F)F |
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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 | 00000000 000c7208 20100100 86010700 00000091 00004010 02000400 2000000c 00000980 000808d0 08301000 4000b002 06008002 01013001 80101008 020c1008 10020000 02000080 00400008 40120201 00000120 38200e20 13000043 83400018 00000c00 80002000 009a0000 90000001 0c000200 0006800b 60104004 02000600 |