On Target FABP5_HUMAN 0.23463687/CHEMBL212860
For the given ligand aprepitant, we have found in our database that, being scored 0.23463687, the most similar ligand is CHEMBL212860. Check out the elaboration below.
| aprepitant (Given Ligand) | CHEMBL212860 (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 | OC(=O)Cc1cccc(OCc2ccccc2Cl)c1OCc3ccccc3Cl |
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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 | 04008000 42000008 20000108 00210200 00001041 80004000 02000000 08008200 00000100 00080840 08000000 40009900 0380c006 20010080 41040001 0208a008 08001000 02008000 00480000 00020200 00001000 08000b20 01000000 00c01010 00006000 c0002602 00000000 00010000 00000300 0002000a 40002000 00020400 |