On Target 5HT1F_HUMAN 0.26923078/CHEMBL320198
For the given ligand Aprepitant, we have found in our database that, being scored 0.26923078, the most similar ligand is CHEMBL320198. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL320198 (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 | CN1CCC(CC1)c2c[nH]c3cnc(NC(=O)c4ccc(F)cc4)nc23 |
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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 | 0000000a 01804a00 00180180 42810610 00040240 0000c010 0000a000 22001000 00400900 200808c0 21300004 5001a000 08008802 00801800 00240840 000c0004 08000000 02004104 00600400 40b00201 40000100 5c028660 21800840 00700014 00042000 80000080 08008000 90000005 00400108 0046980b c0041200 000007a0 |