On Target CXCR4_HUMAN 0.33838382/CHEMBL3923006
For the given ligand Cocaine, we have found in our database that, being scored 0.33838382, the most similar ligand is CHEMBL3923006. Check out the elaboration below.
| Cocaine (Given Ligand) | CHEMBL3923006 (Similar Ligand) |
|---|---|
| CN1C3CCC1C(C(=O)O)C(OC(=O)c2ccccc2)C3 | 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 |
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| 00010000 01000800 00100100 00010700 000c0050 00204010 00000000 20000000 00000100 010008c0 00200000 50019000 1c00801a 01890000 00000000 02081008 00a20000 02000000 01c02010 00000201 00000020 18020a30 01000080 00500014 00001401 80002000 00088000 10001000 00000200 0006000e c0020000 02002200 | 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 |