On Target AA2AR_HUMAN 0.36097562/CHEMBL3911977
For the given ligand Aprepitant, we have found in our database that, being scored 0.36097562, the most similar ligand is CHEMBL3911977. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL3911977 (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(C)OCc1cccc(CNC(=O)c2nc(N)nc3c(F)cccc23)n1 |
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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 | 00000002 00801800 02104100 16050e00 01040035 00104032 00002000 0a003007 00000b00 40080840 01290104 44008800 00008802 00711000 00220440 020c010d 0000a008 12804122 80600000 00700801 c0000000 0c028628 a0800842 0060011c 00104400 c0002400 00080060 80001001 0000030c 00468401 c0048080 400042a0 |