On Target CHLE_HUMAN 0.2984293/CHEMBL1082082
For the given ligand aprepitant, we have found in our database that, being scored 0.2984293, the most similar ligand is CHEMBL1082082. Check out the elaboration below.
| aprepitant (Given Ligand) | CHEMBL1082082 (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 | CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(Cc2ccccc2)CC1)NC(=O)OCc3ccccc3 |
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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 | 01030040 01405000 00100100 80010700 00080080 0002c000 00000000 22001000 00200300 000208c0 00200000 5003b000 0c008832 01810000 00001408 021a1008 00820000 02080400 00402890 01000201 00000020 18048e70 13000000 00500018 10000400 c0002002 00800800 90200000 00000300 00060003 e0044000 00802200 |