On Target CALCR_HUMAN 0.2977528/CHEMBL2369895
For the given ligand test1, we have found in our database that, being scored 0.2977528, the most similar ligand is CHEMBL2369895. Check out the elaboration below.
| test1 (Given Ligand) | CHEMBL2369895 (Similar Ligand) |
|---|---|
| CCCCCC(O)C(O)C2/C=C\CC1CC(=O)NCCCCNCCCN12 | 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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| 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 | 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 |