On Target AOFB_HUMAN 0.30177516/CHEMBL2391874
For the given ligand aprepitant, we have found in our database that, being scored 0.30177516, the most similar ligand is CHEMBL2391874. Check out the elaboration below.
| aprepitant (Given Ligand) | CHEMBL2391874 (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 | Fc1ccc(CCOc2ccc3COC(=O)c3c2)cc1 |
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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 | 04001000 48000808 20100108 02010200 00001050 0a00c010 02040000 00000040 00000100 00080848 08000000 40008800 00808002 00211080 01044005 22082008 08020000 02000280 04080000 00120200 00000000 08020b20 01000000 00400014 00000400 80002000 004a0000 00000001 00000200 00028002 c0000000 00000600 |