On Target GASR_HUMAN 0.44545454/CHEMBL37312
For the given ligand chenyan1, we have found in our database that, being scored 0.44545454, the most similar ligand is CHEMBL37312. Check out the elaboration below.
| chenyan1 (Given Ligand) | CHEMBL37312 (Similar Ligand) |
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| Cc1ccc4c(c1)[nH+]c(/C=C/c2cccc3cccnc23)n4c6cccc(OCCCN5CCN(C)CC5)c6 | CC(C)Oc1cccc(c1)N2C(=Nc3ccccc3C2=O)CCc4c[nH]c5ccc(Br)cc45 |
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| 04010002 80800a08 20104908 16050e10 00041064 06004000 a20080a0 08001408 00100104 000038c0 1120800c 40018000 00811802 0840a200 81060043 024c200c 08200408 02000004 00e00000 00420602 c0000000 38008038 a18000e1 83418010 00040001 c2000041 0840a040 40000200 0c418204 00460848 44040000 020002e0 | 0600400a 80008a08 20001108 50810610 000c1060 04004020 2200b802 00001000 06500980 400808e0 1910800c 40818000 08809833 0a600a00 018600c1 020c000c 08000008 06008400 00600408 00020401 40080180 18008038 21800041 91708410 00042800 c0080040 28128000 00040000 0401c204 00ce000a 40240208 680006a0 |