On Target AA2BR_HUMAN 0.2832618/CHEMBL202828
For the given ligand Aprepitant, we have found in our database that, being scored 0.2832618, the most similar ligand is CHEMBL202828. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL202828 (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 | CC(NC(=O)COc1ccc(cc1)c2cc3N(C)C(=O)N(C)C(=O)c3[nH]2)c4ccccc4 |
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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 | 0400202a 00800808 20100108 12050602 000c10e0 0000e040 02048002 02081000 16400100 d00818e0 0d24000c 6001c000 00809832 00e01000 013e14c1 000c000c 18820000 8280a004 04600000 00620002 c0000080 38068670 33800041 00700018 00040000 c0000000 20028048 80040051 00004304 00460c03 400c0a00 000006a0 |