On Target ADA2B_HUMAN 0.31578946/CHEMBL60889
For the given ligand Aprepitant, we have found in our database that, being scored 0.31578946, the most similar ligand is CHEMBL60889. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL60889 (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 | CCOc1cc(N)c(Cl)cc1C(=O)NCC2CN(Cc3ccc(F)cc3)CCO2 |
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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 | 0400800a 88005c08 20100108 82010600 00001080 04020110 06000000 02001400 00000000 00100968 08200004 40008820 02808806 08001000 81081449 00082108 10000000 02008500 00000000 00120600 40000040 180a8700 32000000 0040001c 20002400 c0000400 00900800 80000001 00000300 00068811 a4040000 00020200 |