On Target ACE2_HUMAN 0.3015873/CHEMBL436639
For the given ligand minocycline, we have found in our database that, being scored 0.3015873, the most similar ligand is CHEMBL436639. Check out the elaboration below.
| minocycline (Given Ligand) | CHEMBL436639 (Similar Ligand) |
|---|---|
| [H][C@@]24Cc1c(N(C)C)ccc(O)c1/C(O)=C2/C(=O)[C@]3(O)/C(O)=C(C(N)=O)\C(=O)[C@@H](N(C)C)[C@]3([H])C4 | CC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)CNC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(=O)N1 |
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| 100f0012 cb000008 21900312 00310600 22390004 40006001 830800c0 18000c02 11a00940 005a88da 08302204 4143f800 9c02802a 00b00000 00020466 0008210a 2004c400 02000160 1ac5a01c 80022203 40100500 580006b0 2500c0a0 00500010 01241000 80000e01 00446000 d0001180 0442c002 00060402 7c024080 20c10e02 | 04070002 81007a18 60100100 45910f10 041c12c0 00000110 02002020 2000200c 00600b80 020f0ac2 28308004 5003b800 1e00983e 01542801 811a0040 001c000c 10000000 0e000001 00e02418 404e2301 60000d40 38358e38 23800683 97500018 00043801 80800200 48120400 10000100 0c000016 0046802b e00c4200 23c12e20 |