On Target ACE_HUMAN 0.2850877/CHEMBL58340
For the given ligand aprepitant, we have found in our database that, being scored 0.2850877, the most similar ligand is CHEMBL58340. Check out the elaboration below.
| aprepitant (Given Ligand) | CHEMBL58340 (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 | CCOC(=O)C(CCc1ccccc1)NC(C)C(=O)N2Cc3cc(OC)c(OC)cc3CC2C(=O)OCc4ccccc4 |
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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 | 00018008 47805208 2010010a 94010700 000810b0 c0004000 03041000 22001004 00000980 000908c0 08303000 4000b000 0600c882 20212003 81181489 020c9008 10820200 02000020 00480008 00020201 80020120 38208e20 13004041 83448018 00000c00 c0002001 00ba4000 90000001 0c000300 0086000b 60044000 02402600 |