On Target CALCR_HUMAN 0.16455697/CHEMBL2369886
For the given ligand YJING, we have found in our database that, being scored 0.16455697, the most similar ligand is CHEMBL2369886. Check out the elaboration below.
| YJING (Given Ligand) | CHEMBL2369886 (Similar Ligand) |
|---|---|
| N=C(N)NNCc3ccc(OCc1ccc(Cl)cc1)c(OCc2ccc(Cl)cc2)c3 | 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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| 0400800c 4c000028 20000108 00210e00 00001000 00004000 02040000 00001002 00000100 00000842 00000000 40008800 02804886 00010080 21000001 0208800c 00000000 02000800 84480000 00020200 00040000 08008120 40000000 00c89000 00202000 80002000 40260000 00000000 00000220 004e0008 40040000 00020080 | 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 |