On Target AA2BR_HUMAN 0.30222222/CHEMBL4072891
For the given ligand test1, we have found in our database that, being scored 0.30222222, the most similar ligand is CHEMBL4072891. Check out the elaboration below.
| test1 (Given Ligand) | CHEMBL4072891 (Similar Ligand) |
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| 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 | CCOC(=O)C1=C(C)N\C(=N/C#N)\NC1c2cocc2 |
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| 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 | 04400040 00208008 009e0100 04314f00 000e0041 00a00000 06004005 00203420 01026e00 01990012 57300000 40009001 4c00d400 00090008 00004010 b01a9008 20a34820 02030100 30c7007c 01180881 00002120 1a01aa06 010084d0 00080191 80013e06 80004000 40400018 9a840111 20000310 00060202 04000040 c0000210 |