On Target AGTR2_HUMAN 0.2779661/CHEMBL444065
For the given ligand Aprepitant, we have found in our database that, being scored 0.2779661, the most similar ligand is CHEMBL444065. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL444065 (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 | CCCCC1=NN(C(=O)N1Cc2ccc(cc2F)c3ccccc3S(=O)(=O)NC(=O)OC(C)(C)C)c4cc(ccc4Cl)C(=O)NCCOC |
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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 | 1000a01e 01c04809 41181100 06f18700 010000d0 0200c434 01808802 02821300 86c0010c 100c2860 4020a10d 72009840 8209884e 02491001 98377440 111a200c 1a02a280 06004000 04c80008 50256001 c0020480 18028f30 37202040 8968441c 0004a044 c000c682 c88c8000 800500cf 0440c705 2046c041 c0265080 220303e0 |