On Target CLTR1_HUMAN 0.29444444/CHEMBL419796
For the given ligand Aprepitant, we have found in our database that, being scored 0.29444444, the most similar ligand is CHEMBL419796. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL419796 (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 | OC(=O)c1cccc(CCOCc2ccc3ccc(OCc4ccc5ccccc5n4)cc3c2)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 | 04000002 00000808 22024108 10010200 00041071 00004040 02000000 00000040 00000300 00080a40 28000004 40008000 00808802 00410000 01060041 0a0c000c 0c008000 02800000 04200000 40020200 40010020 08028a28 a1800002 80c01114 00000400 80002000 00080040 00000004 00000204 00020002 c0040000 02000400 |