On Target AA2AR_HUMAN 0.21138212/CHEMBL438823
For the given ligand GABAPENTIN, we have found in our database that, being scored 0.21138212, the most similar ligand is CHEMBL438823. Check out the elaboration below.
| GABAPENTIN (Given Ligand) | CHEMBL438823 (Similar Ligand) |
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| NCC1(CC(=O)O)CCCCC1 | CCCN1C(=O)N(CCC)c2[nH]c(nc2C1=O)[C@@]34CC[C@@](CC3)(CC4)C(=O)OC |
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| 00030000 01000000 00000000 00000400 00180000 00000000 00000000 00000000 00000000 00000080 00000000 40011000 04008008 00800000 00000000 00080008 00000000 00000000 02402000 00000001 00000000 10000a10 01000000 00000010 00000000 00000000 00000000 00000000 00000000 00040000 00020000 00000000 | 0001002a 01801800 00180400 12010700 04080060 0000c440 01009000 00000400 16400100 800010a0 0c00800c 40819800 04009008 00d00000 002a0080 080c100c 00820000 04008000 02402008 00000001 80100500 10000a50 21800041 00300014 00040000 c0200200 60000000 10040080 00004205 00c60800 c00a0000 60000288 |