On Target HRH3_HUMAN 0.36021507/CHEMBL571006
For the given ligand Aprepitant, we have found in our database that, being scored 0.36021507, the most similar ligand is CHEMBL571006. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL571006 (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 | Brc1cc(CCNC(=O)c2nnc[nH]2)ccc1OCCN3CCCC3 |
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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 | 04006000 10009008 60100108 01010e02 01001080 00100014 02840000 28002405 40000980 801808c0 08390020 c4008800 00808012 00200001 010a1001 0008200c 10008000 02000002 00400000 00224201 00000000 18250600 32000000 a1400018 00000000 80000400 00120000 10020001 05000204 00060003 84000088 08000700 |