On Target GRM2_HUMAN 0.3512195/CHEMBL4092105
For the given ligand Aprepitant, we have found in our database that, being scored 0.3512195, the most similar ligand is CHEMBL4092105. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL4092105 (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)C(=O)c1ccc(OCc2ccc(CNC(=O)c3cn(C)cn3)cc2)c(c1O)C(F)(F)F |
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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 | 14000003 01811808 20100109 00051e10 00001041 00124000 42044400 0a003201 00000900 40080850 48398008 40009842 80809802 01310000 01020401 0a0c200c 00022000 82008002 80400000 40020801 90000100 18028e20 21004000 00c2101c 00044000 c0002400 00120000 90000000 00010305 00460003 c0140000 80008600 |