On Target CCR4_HUMAN 0.3468208/CHEMBL1907216
For the given ligand Aprepitant, we have found in our database that, being scored 0.3468208, the most similar ligand is CHEMBL1907216. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL1907216 (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 | Brc1ccc(OCc2ccccc2)c(CNCC3CCCO3)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 | 04004008 21008008 20100108 80010600 00081080 00004100 02000000 22001400 40000100 001008c0 08200000 c0018000 00800812 01010000 01081509 02082008 10000000 02008000 00400000 00020201 00000060 18008020 13008000 00d01010 10004400 c0002000 00420000 90000001 00000300 00060000 64040008 08000200 |