On Target CAH2_HUMAN 0.28921568/CHEMBL4089618
For the given ligand aprepitant, we have found in our database that, being scored 0.28921568, the most similar ligand is CHEMBL4089618. Check out the elaboration below.
| aprepitant (Given Ligand) | CHEMBL4089618 (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 | C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2OC(=O)[C@@H]5CCCN5Cc6ccc(cc6)S(=O)(=O)N |
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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 | 00018058 43801008 21100102 80b10700 00080088 40000012 02000000 22001001 00000800 000808c0 08302000 6001b000 06008812 01a00001 80281428 00081008 10820200 02000000 02402000 00022201 80000120 18088a00 13004000 08500018 10000400 c0000001 00120000 90000029 00000302 21060002 20064000 00010620 |