On Target PDE4B_HUMAN 0.32735425/CHEMBL3113210
For the given ligand aprepitant, we have found in our database that, being scored 0.32735425, the most similar ligand is CHEMBL3113210. Check out the elaboration below.
| aprepitant (Given Ligand) | CHEMBL3113210 (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 | CS(=O)(=O)n1c(COCCN2COc3ccccc3C2=O)cc4cc(ccc14)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 | 0020000a 00004808 62100108 90310640 000c10b1 00024100 42020400 22001400 04000300 40100850 08203004 40008040 02028802 03452001 85021449 021e200c 10008000 02804004 00600002 01420200 40000000 08028678 b2802052 8040212c 00800400 c0012022 20884840 90000009 00414304 00060501 c4140200 00110220 |