On Target NS3_HCV1A 0.35682818/CHEMBL4113993
For the given ligand MLN-4760-ACE2, we have found in our database that, being scored 0.35682818, the most similar ligand is CHEMBL4113993. Check out the elaboration below.
| MLN-4760-ACE2 (Given Ligand) | CHEMBL4113993 (Similar Ligand) |
|---|---|
| CC(C)CC(NC(Cc1cncn1Cc2cc(Cl)cc(Cl)c2)C(=O)O)C(=O)O | C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@]2(CN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1Cc3[nH]cnc3CN1)C(C)(C)C)C(C)(C)C)C(C)(C)C21CCC1)C(=O)NS(=O)(=O)N1CCCC1 |
|
|
|
|
|
|
| 04018002 09800200 00101100 01810610 040800c0 00000020 04002000 20001000 80400980 10090ac0 2020a008 5001b800 06009806 00100c02 812b0080 000c000c 10000000 0e000000 00480018 40010201 80000c00 18208b00 230000c1 93400410 00043001 c0000200 10000000 10000000 04400004 00460008 400c4004 20022600 | 140180aa 09003000 06100000 15a00c10 04000260 00100010 010a6020 28003409 10400900 0019c388 6061a000 50013800 0601801a 01302811 a1420400 020c0004 04024000 0e000022 c4012018 40004201 20020c00 30270e30 21004003 32900038 00041000 01000601 00004000 90000110 0c000004 c0c60089 64024004 a0012260 |