On Target ADRB1_HUMAN 0.30057803/CHEMBL1084891
For the given ligand Aprepitant, we have found in our database that, being scored 0.30057803, the most similar ligand is CHEMBL1084891. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL1084891 (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 | CC(=O)O.Cc1cc(C)cc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1 |
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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 | 00000000 01000008 a0100100 00010700 00081091 00004000 02000000 20000840 00002180 000808c0 a8200000 40018000 00008002 00810000 00080000 0208b008 10800000 02000000 00402000 40020201 00000020 18200a30 07000000 89500010 00000400 80002000 005a0000 10000020 04000200 00060002 40000004 00002600 |