On Target 5HT1B_HUMAN 0.3026316/CHEMBL2113350
For the given ligand test1, we have found in our database that, being scored 0.3026316, the most similar ligand is CHEMBL2113350. Check out the elaboration below.
| test1 (Given Ligand) | CHEMBL2113350 (Similar Ligand) |
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| CCCCCC(O)C(O)C2/C=C\CC1CC(=O)NCCCCNCCCN12 | Cl.O=C(N[C@@H]1CC[C@@H](CCN2CCc3ccc(cc3C2)C#N)CC1)\C=C\c4ccccc4 |
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| 00010010 89009400 00100800 00000400 00080080 00000000 00180000 20000402 00200000 001081a8 00200200 41031000 0c028102 00810000 00080404 00080108 30000000 00000140 00c12012 00002201 00000000 10040610 07008080 00100018 00201001 00000000 00484000 90000000 00000000 00040411 24020000 02002200 | 00000008 01009000 00100100 10010600 00000021 00000000 90100080 22001400 01800180 00c808c0 08200000 40818800 00008882 00210000 00000402 00000008 20400600 02000128 02a1a000 00800201 00020000 18248610 00004400 81500018 00000000 c0000000 08486000 d0010000 04400100 00060403 24060000 02022600 |