On Target CCR2_HUMAN 0.40106952/CHEMBL3589845
For the given ligand Aprepitant, we have found in our database that, being scored 0.40106952, the most similar ligand is CHEMBL3589845. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL3589845 (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 | Fc1ccc(cc1)C(CCN2CCC3(CC2)OCCc4ccccc34)C(=O)NCc5cc(cc(c5)C(F)(F)F)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 | 00020040 018a0200 00100500 02010600 00000051 00004012 10000400 22001041 00200980 000808d0 08300000 50039802 05008802 01291000 40040400 020c0008 08200000 02000080 04800002 00100201 80010120 18208620 01004080 81500018 00000401 c0002201 08080000 90000001 04000301 0006880b 60142000 02802600 |