On Target RT_HIV1 0.362776/CHEMBL4109767
For the given ligand Ledipasvir, we have found in our database that, being scored 0.362776, the most similar ligand is CHEMBL4109767. Check out the elaboration below.
| Ledipasvir (Given Ligand) | CHEMBL4109767 (Similar Ligand) |
|---|---|
| COC(=O)N[C@H](C(=O)N2CC1(CC1)C[C@H]2c%10nc(c9ccc8c7ccc(c6ccc5[nH]c([C@@H]4[C@H]3CC[C@H](C3)N4C(=O)[C@@H](NC(=O)OC)C(C)C)nc5c6)cc7C(F)(F)c8c9)c[nH]%10)C(C)C | COC(=O)N[C@H](C(=O)NCc1ccc([C@@H](CO)N(Cc2cc3cccnc3[nH]2)S(=O)(=O)c2ccc(N)cc2)s1)C(c1ccccc1)c1ccccc1 |
|
|
|
|
|
|
| 0000a00a 01003801 00100d00 94050e10 00040061 1011c01a 01400400 21082049 00800300 000808d0 09218004 7081ba02 0e008082 0970a000 20020040 821e010c 00028000 06083026 04202018 50080a1b 44300008 38070e30 31806011 02500038 00940001 a0080082 00000248 d00010e1 0a414284 01e60803 e01248a0 200066a0 | 0001001a 0080b200 03184100 15b10e01 100c00f0 0013c000 04000081 2b00700f 00c60b00 004938c0 09b12204 e000b880 8c008812 00d02021 b0262440 021e030c 18423000 0219000e 82700018 0000620d c0001900 78288eb0 23900000 cb400158 42100800 e4010406 40300800 d000206c 0c600784 2046000f e0044200 00c147e0 |