On Target MSHR_HUMAN 0.3161512/CHEMBL419307
For the given ligand Trequinsin, we have found in our database that, being scored 0.3161512, the most similar ligand is CHEMBL419307. Check out the elaboration below.
| Trequinsin (Given Ligand) | CHEMBL419307 (Similar Ligand) |
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| COc4cc3CCn2c(cc(=Nc1c(C)cc(C)cc1C)n(C)c2=O)c3cc4OC | N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)COc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |
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| 0000e042 42000e09 3410118a 01c50700 200810a1 84016000 02055a00 00080000 05900300 800808e0 0c00800c 60018800 0300d033 68f00000 912a00c9 020cc00c 108208e0 07902000 04494000 00023200 e0100000 18030010 b3806145 93600118 028a0002 c8808000 48130000 10004151 0c0c4215 0146041a 40181800 00000ca4 | 0401a002 01003a08 20100108 45810e12 040412c0 00000000 02002020 2000200c 00600b80 00090ac2 28348004 5003f800 1e809816 00502803 811a1041 001c000c 10000000 8e000400 00200418 40020201 60000d00 38258728 33800003 93500018 00043800 80000200 48100008 10000101 0c000214 0046000b e00c4200 20022620 |