On Target ADRB3_HUMAN 0.42328042/CHEMBL4087670
For the given ligand Aprepitant, we have found in our database that, being scored 0.42328042, the most similar ligand is CHEMBL4087670. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL4087670 (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 | O[C@@H]([C@H]1CC[C@@H](Cc2ccc(cc2)C(=O)N3CCN(Cc4ncn(CC(F)F)n4)CC3)N1)c5ccccc5 |
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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 | 00800004 01002808 40100102 44010e00 01080080 0010c014 00800000 0b003409 00000980 001908c0 08310028 44018800 80008802 01a02000 000a0400 0008200c 10008000 02000002 00402800 00200201 80000100 38228670 23000020 8360001c 00200000 c0200400 00000000 90020000 0d000107 00060003 c4060080 0000a708 |