On Target NPY4R_HUMAN 0.26244345/CHEMBL2440912
For the given ligand Aprepitant, we have found in our database that, being scored 0.26244345, the most similar ligand is CHEMBL2440912. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL2440912 (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 | NCCN(CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)\N=C(\N)/NCCC[C@H](NC(=O)C(c1ccccc1)c2ccccc2)C(=O)NCc3ccc(CNC(=O)N)cc3)CCNC(=O)CCC(=O)NCCOCCOCCNC(=O)\N=C(\N)/NCCC[C@H](NC(=O)C(c4ccccc4)c5ccccc5)C(=O)NCc6ccc(CNC(=O)N)cc6.OC(=O)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 | 00030040 01807000 00100100 84210e00 220000a0 00000000 00400000 23003048 00202380 001908c2 19200020 4003b000 87009812 00002008 c0081408 00190008 30000800 02000000 00000000 00000205 80102000 38258e20 16000003 8b500018 00000410 e0000000 40801000 d0000021 0c000392 000e0003 a40c6000 80802600 |