On Target CXCR1_HUMAN 0.2753623/CHEMBL3609018
For the given ligand Aprepitant, we have found in our database that, being scored 0.2753623, the most similar ligand is CHEMBL3609018. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL3609018 (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 | OB(O)c1ccc(CN(Cc2ccccc2)c3ncc(cn3)C(=O)Nc4ccc(F)cc4)nc1 |
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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 | 10004002 01000000 00104182 12010e18 01040820 00104010 00006000 02003001 00000180 20000848 40298004 6000c000 40008802 04101000 00020d40 021c0104 00042000 03004002 08600000 40a00200 c0100000 0c008e00 21812840 00600008 00160000 c0000080 04000040 90000081 0020811c 00468801 c0041000 800042a0 |