On Target ACE2_HUMAN 0.2299169/CHEMBL1240682
For the given ligand MOLECULE 177, we have found in our database that, being scored 0.2299169, the most similar ligand is CHEMBL1240682. Check out the elaboration below.
| MOLECULE 177 (Given Ligand) | CHEMBL1240682 (Similar Ligand) |
|---|---|
| [H][C@]%13(n1cc(C)c(=O)[nH]c1=O)C[C@H](N=N#N)[C@@H](COP(=S)(OCc%10ccc(c8c2ccc(n2)c(c3ccccc3)c4ccc([nH]4)c(c5ccccc5)c6ccc(n6)c(c7ccccc7)c9ccc8[nH]9)cc%10)OC[C@H]%12O[C@@]([H])(n%11cc(C)c(=O)[nH]c%11=O)C[C@@H]%12N=N#N)O%13 | CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CC(=O)O)NC(=O)CN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O |
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| 0800000a 01534000 10000102 97450618 001800e6 082941cc b0004480 0b101418 06004100 898809f1 0c00800d 60818a10 00009000 03cc433c 00aa5080 001e828c 203e8020 8280b205 38e01006 4190d017 85080022 1c008830 27800ac1 08750410 10040c07 e000c002 ac002600 50041260 8058c28d 01660022 75e80244 20819c80 | 04070002 01007a08 20100100 45910e10 041c12c0 00000010 02002020 2000200c 00600b80 020f0ac2 28308004 5003b800 1e00981a 01542801 811a0040 001c000c 10000000 0e000001 00e02418 40420301 60000d00 38358e38 23800283 97500018 00043801 80000200 48120000 10000100 0c000016 0046002b e00c4200 23812e20 |