On Target CXCR4_HUMAN 0.24680851/CHEMBL3923006
For the given ligand test1, we have found in our database that, being scored 0.24680851, the most similar ligand is CHEMBL3923006. Check out the elaboration below.
| test1 (Given Ligand) | CHEMBL3923006 (Similar Ligand) |
|---|---|
| CC6(C)O[C@H]1CC(=O)OC[C@]17[C@H]5CC[C@@]4(C)[C@H](c2ccoc2)OC(=O)[C@H]3O[C@]34[C@]5(C)C(=O)C[C@@H]67 | CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(cc1)C(=O)c2ccccc2)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)NCCOCCOCCOCCC(=O)NCCCC[C@H](NC(=O)[C@@H]5CSSC[C@H](NC(=O)[C@H](Cc6ccc7ccccc7c6)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc8ccc(O)cc8)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCCN)C(=O)N9CCC[C@H]9C(=O)N[C@@H](Cc%10ccc(O)cc%10)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N5)C(=O)O |
|
|
|
|
|
|
| 00050040 81200008 80080102 00014300 802c00d1 00200000 00004000 00200040 000a6900 010a0040 04180000 4008d000 54008428 02b10000 00080000 5a089008 08820020 82050100 13402000 00002001 00000020 18000a00 05000040 08080014 00000400 80004000 00080410 0a800031 60000202 0002000a 40020000 02000400 | 00010000 81007a18 60100100 c4110f00 000c0080 00200110 02000000 2100204c 00202b80 020f08c2 08300000 4003b800 1600901e 008c2001 80181008 001f8008 10200000 02000000 00c02008 004e2301 40000160 38270e38 17000683 8f50001c 00000c01 a0800000 40920400 50000021 0c000290 0006802b a0084000 03412600 |