On Target CALCR_HUMAN 0.203125/CHEMBL2369886
For the given ligand test1, we have found in our database that, being scored 0.203125, the most similar ligand is CHEMBL2369886. Check out the elaboration below.
| test1 (Given Ligand) | CHEMBL2369886 (Similar Ligand) |
|---|---|
| CC6(C)O[C@H]1CC(=O)OC[C@]17[C@H]5CC[C@@]4(C)[C@H](c2ccoc2)OC(=O)[C@H]3O[C@]34[C@]5(C)C(=O)C[C@@H]67 | 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](Cc2cn(N)cn2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N4CCC[C@@H]4C(=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)N5CCC[C@@H]5C(=O)N |
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| 00050040 81200008 80080102 00014300 802c00d1 00200000 00004000 00200040 000a6900 010a0040 04180000 4008d000 54008428 02b10000 00080000 5a089008 08820020 82050100 13402000 00002001 00000020 18000a00 05000040 08080014 00000400 80004000 00080410 0a800031 60000202 0002000a 40020000 02000400 | 04030002 01007608 20100100 05910e10 041802c2 00000010 0201e020 2000000c 00684980 020f0be2 28308010 5003b800 1e00843a 01142809 811a0000 400c000c 10000820 0e000001 00c02018 40420301 60000d00 382c0e38 23000283 97500018 00041801 80004200 40130000 10000100 0c000007 004e003b 60044000 23812e00 |