On Target CALCR_HUMAN 0.21888413/CHEMBL2369897
For the given ligand HU-580, we have found in our database that, being scored 0.21888413, the most similar ligand is CHEMBL2369897. Check out the elaboration below.
| HU-580 (Given Ligand) | CHEMBL2369897 (Similar Ligand) |
|---|---|
| C=C(C)[C@@H]1CC/C(C)=C\[C@H]1c2c(O)cc(CCCCC)c(C(=O)OC)c2O | CCCC[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)CNC(=O)[C@@H](N)CS)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)[C@H](Cc3ccccc3)NC(=O)C(Cc4c[nH]cn4)N[C@@H](CCC)C(=O)N[C@@H](Cc5ccc(O)cc5)C(=O)N6CCC[C@@H]6C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N7CCC[C@@H]7C(=O)N |
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| 00000001 43000808 20000103 00010202 00010001 4082c400 02000001 00000e02 00040900 00980a42 28100000 40408840 00028022 00210000 00000420 0a082008 00020800 02100020 00202000 40020a01 00400500 08020a60 0100c000 00400014 00200000 80002201 04424200 80000000 00000203 00024002 e4020004 00010400 | 04070002 01007608 20100102 05910610 041002c0 00000010 02002020 2000000c 00700980 020f0be0 2830a000 5003b800 1e00801a 00342801 811a0000 000c000c 10000000 0e000001 00c02018 40420301 60000d00 383c0e30 23000283 97500018 00041801 80000200 00120000 10000100 0c000006 0046003b 60024000 23812e00 |