On Target BKRB2_HUMAN 0.2777778/CHEMBL559506
For the given ligand Aprepitant, we have found in our database that, being scored 0.2777778, the most similar ligand is CHEMBL559506. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL559506 (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(C)C(=O)NCc1nccc(C)c1COc2cccc3c(cc(C)nc23)c4ccnn4C |
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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 | 04006006 00800808 e2104108 10010e10 010c1020 04104006 12c40000 0a223001 10000100 000008c0 00218004 60049800 80c08832 08618000 010204c1 020c210c 00020000 02001006 0c610000 00220a01 c0120000 18038648 30880800 82c0d01c 00140400 c0082400 18024240 80000061 00404305 00060001 e0040600 00004220 |