On Target AA1R_HUMAN 0.3409091/CHEMBL3763434
For the given ligand Aprepitant, we have found in our database that, being scored 0.3409091, the most similar ligand is CHEMBL3763434. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL3763434 (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 | Nc1nc(C(=O)NCc2cccc3NCCOc23)c4cccc(F)c4n1 |
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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 | 14006002 00801808 60101108 06050e02 81041084 08104130 02002000 0a003405 00800900 40180850 092d0004 40008800 00808802 00701000 01221641 000c600d 00042008 1202c102 88600000 00320000 c1100040 0c068628 32800840 0060810c 00044000 c0000400 28000020 80000081 0040830c 00468001 c4048000 400002a0 |