On Target ADRB2_HUMAN 0.5519481/CHEMBL462313
For the given ligand Captagon, we have found in our database that, being scored 0.5519481, the most similar ligand is CHEMBL462313. Check out the elaboration below.
| Captagon (Given Ligand) | CHEMBL462313 (Similar Ligand) |
|---|---|
| CC(Cc1ccccc1)NCCn2cnc3c2c(=O)n(C)c(=O)n3C | CC(C)N[C@@H]1CCN2C(=O)Nc3cccc([C@H]1O)c23 |
|
|
|
|
|
|
| 0000002a 00801c00 00180100 42010700 00180040 0000c080 00008000 00000000 06600980 800808e0 0c30900c 40008000 00009002 01400000 00280880 000c000c 00800000 02088000 00400000 00000201 80000100 38200040 21800041 83700014 00040000 c0200000 60000000 00040000 0c004000 00460012 c0080000 00000e80 | 00000002 01001c00 00105102 41850618 001c01c0 0000c0c0 00002000 00000000 04700980 800909e0 2d30800c 40018000 18009002 01e40800 003000c0 080c000c 10100000 82000000 08600000 40000201 c0000100 18200070 23800001 91700414 00042000 c0000000 40000040 10000010 04000000 00460012 c0080000 000006a0 |