On Target CCR5_HUMAN 0.39215687/CHEMBL1077353
For the given ligand Aprepitant, we have found in our database that, being scored 0.39215687, the most similar ligand is CHEMBL1077353. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL1077353 (Similar Ligand) |
|---|---|
| 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 | CCO[C@H]1Cc2cc(ccc2[C@@H]1N3CCN(C[C@@H]3C)C4C[C@@H]5CN(C[C@@H]5C4)C(=O)c6c(C)ncnc6C)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 | 1000000a 01011a00 00100902 94050610 000000c1 0000c010 00004400 22001040 00200900 000918d0 48300004 40038802 80008882 01303000 00161408 000e000c 18020000 02000000 04402000 40000201 80030120 38048e30 33804061 02500118 00040400 c1000000 00004100 90000005 08000304 0146080b e0160000 800026a0 |