On Target DRD4_HUMAN 0.38562092/CHEMBL3335543
For the given ligand Aprepitant, we have found in our database that, being scored 0.38562092, the most similar ligand is CHEMBL3335543. Check out the elaboration below.
| Aprepitant (Given Ligand) | CHEMBL3335543 (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 | Fc1ccc(CN2CCOC(CCc3ccccc3)C2)cc1 |
|
|
|
|
|
|
| 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 | 00000008 01000008 00100102 82010700 00000080 00000010 00000000 22001000 00100800 000808c0 08300000 40018000 00000802 00201000 00081408 00081108 10000000 02000100 00400000 00100201 00000120 18008000 13000040 00500010 10000400 c0000000 00000000 90000001 00000300 00068002 20040000 00000600 |