On Target CXCR4_HUMAN 0.30420712/CHEMBL4450987
For the given ligand Trequinsin, we have found in our database that, being scored 0.30420712, the most similar ligand is CHEMBL4450987. Check out the elaboration below.
| Trequinsin (Given Ligand) | CHEMBL4450987 (Similar Ligand) |
|---|---|
| COc4cc3CCn2c(cc(=Nc1c(C)cc(C)cc1C)n(C)c2=O)c3cc4OC | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)CCOCCOCCOCCNC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CO)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@H](N)CC(C)C)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 | 04070002 01007a08 20100100 c5810e10 041412c0 00200010 02002020 2000204c 00602b80 00090ac2 28308004 5003b800 1e00981a 00582801 811a1048 001f800c 10200000 0e000001 00e02418 40020201 60000d20 38358e38 37800083 9b500018 00043c01 80000200 48920000 10000121 0c000216 0046000b e00c4200 20802e20 |