On Target CALCR_HUMAN 0.21495327/CHEMBL2369907
For the given ligand D9-1, we have found in our database that, being scored 0.21495327, the most similar ligand is CHEMBL2369907. Check out the elaboration below.
| D9-1 (Given Ligand) | CHEMBL2369907 (Similar Ligand) |
|---|---|
| CC(C)Cc1ncc(CCCNC(=N)N)[nH]c1=O | 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](Cc1c[nH]cn1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)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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| 0000002a 00002000 00100400 10800c10 00000242 00000000 0000a824 00002008 16400a00 000800b2 08208000 40000000 00009080 02000800 00820000 00140004 08000000 06000000 00000408 00000001 24020080 10018000 21000000 00200010 00040000 40000000 48000000 10000104 00000014 00860808 80280000 20000200 | 04030002 01007608 20100100 05910e10 041802c2 00000010 02012020 2000000c 00600980 020f0bc2 28308010 5003b800 1e00803a 01142809 811a0000 000c000c 10000800 0e000001 00c02018 40420301 60000d00 382c0e30 23000283 97500018 00041801 80000200 40130000 10000100 0c000006 0046003b 60004000 23812e00 |