On Target CCR5_HUMAN 0.375/CHEMBL499109
For the given ligand chenyan1, we have found in our database that, being scored 0.375, the most similar ligand is CHEMBL499109. Check out the elaboration below.
| chenyan1 (Given Ligand) | CHEMBL499109 (Similar Ligand) |
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| Cc1ccc4c(c1)[nH+]c(/C=C/c2cccc3cccnc23)n4c6cccc(OCCCN5CCN(C)CC5)c6 | COc1ccc(cc1)C(N2CCC(CCN3[C@@H]4CC[C@H]3C[C@H](C4)n5c(C)nc6ccccc56)(CC2)c7ccccc7)C(=O)O |
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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 | 00000002 01000608 20100108 10010600 000c10e0 00004010 02040000 22001000 00200900 000819c0 0930800c 5001b000 03009802 01c40000 c10e04c1 020c000c 18100000 02000000 00602000 00020201 c0000100 18008a30 23800001 00500010 00000000 c0000000 00320004 90001000 00000304 0046081a 600e6000 00002680 |