On Target CCR5_HUMAN 0.3375/CHEMBL2113088
For the given ligand D9-1, we have found in our database that, being scored 0.3375, the most similar ligand is CHEMBL2113088. Check out the elaboration below.
| D9-1 (Given Ligand) | CHEMBL2113088 (Similar Ligand) |
|---|---|
| CC(C)Cc1ncc(CCCNC(=N)N)[nH]c1=O | OC(=O)[C@@H](CC1CCC1)N2C[C@H](CN3CCC(CC3)c4cnc5cnccn45)[C@H](C2)c6cccc(F)c6 |
|
|
|
|
|
|
| 0000002a 00002000 00100400 10800c10 00000242 00000000 0000a824 00002008 16400a00 000800b2 08208000 40000000 00009080 02000800 00820000 00140004 08000000 06000000 00000408 00000001 24020080 10018000 21000000 00200010 00040000 40000000 48000000 10000104 00000014 00860808 80280000 20000200 | 0001000a 01000600 00100500 12810610 040802c0 00008010 0000a020 20000000 10600980 000829e0 29308000 5003b800 0600800a 00901810 808a0000 000c000c 18000000 06000000 00402408 40000201 20000500 18208a10 23000000 81500010 00040000 80000200 88008000 10000105 04300004 00c6881a 40024000 20002680 |