On Target GRM6_HUMAN 0.19574468/CHEMBL1585091
For the given ligand Aprepitant, we have found in our database that, being scored 0.19574468, the most similar ligand is CHEMBL1585091. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL1585091 (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 | COC(=O)c1ccc(cc1)n2c(C)cc(C(=O)CSc3ccc(NC(=O)C)cc3)c2C |
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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 | 00004002 00803a00 000a0100 d0190611 00014060 4000c800 00002000 0000100c 00520100 010a48d0 00680004 60018000 80018800 00358200 020200c0 0a0c000c 04060400 82800004 08200500 00000000 c4100000 18068e20 20806001 8740001d 00042000 c0002040 08000000 048018d0 04008206 1006004b d0040200 01010220 |