On Target P2RX3_HUMAN 0.3004926/CHEMBL3929724
For the given ligand aprepitant, we have found in our database that, being scored 0.3004926, the most similar ligand is CHEMBL3929724. Check out the elaboration below.
| aprepitant (Given Ligand) | CHEMBL3929724 (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)Oc1ccc(NC2=NC(=O)N(C(C)C)C(=O)N2Cc3ccc(F)cc3)cc1C(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 | 04000006 00800008 20100108 02011700 01001000 00008012 02009600 00001808 04000100 00000870 0820000c 40049804 04808822 01401000 01200041 1008304c 00040040 1208c100 08400008 10320010 d0000000 18008040 61004040 81620014 40040000 80000000 44048000 90040081 0540c308 00468000 c0140000 02000200 |