On Target GABR1_HUMAN 0.22279793/CHEMBL2391908
For the given ligand Aprepitant, we have found in our database that, being scored 0.22279793, the most similar ligand is CHEMBL2391908. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL2391908 (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 | Cl.C[C@H](NC[C@H](O)CP(=O)(O)CC1CCCCC1)c2ccc(Cl)c(Cl)c2 |
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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 | 00008008 0d000200 00100100 00010600 00000080 80000000 04000000 02001000 00000400 00080848 08200001 40108800 02000876 01060000 8e000400 00080008 1000002c 02300000 02006000 00000201 00000000 19108100 03400000 00480010 08002000 c0100000 00040000 80014000 00140b00 00060302 70060000 0102d601 |