On Target CALCR_HUMAN 0.027210884/CHEMBL2369895
For the given ligand Asprin, we have found in our database that, being scored 0.027210884, the most similar ligand is CHEMBL2369895. Check out the elaboration below.
| Asprin (Given Ligand) | CHEMBL2369895 (Similar Ligand) |
|---|---|
| C=C1CCCC1 | CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CS)[C@@H](C)O)C(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CC(=O)NCCC[C@H](NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N3CCC[C@@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N4CCC[C@@H]4C(=O)N |
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| 00000000 01000000 00000000 00000000 00000000 00000000 00000000 00000400 00000000 00100000 00000000 40000000 00000000 00000000 00000400 00000000 00000000 00000000 00000000 00000001 00000000 00000000 00000000 00000010 00000000 00000000 00000000 80000000 00000000 01000000 04000000 00000000 | 00030000 01007608 20100100 04110e00 00180082 00000010 02010000 2000000c 00200880 020e09e2 08300010 4003b000 1e00803a 01042009 80180000 000c0008 10000800 02000001 00c02018 00420301 40000100 382c0e30 03000283 87500018 00001801 80000000 40130000 10000000 0c000002 0006003b 20004000 03812e00 |