On Target MDR1_HUMAN 0.5890411/CHEMBL2398097
For the given ligand PSPP 30, we have found in our database that, being scored 0.5890411, the most similar ligand is CHEMBL2398097. Check out the elaboration below.
| PSPP 30 (Given Ligand) | CHEMBL2398097 (Similar Ligand) |
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| O=C(NC2CCC1(CCCC1)CC2)c4ccc(c3ccccc3)cc4 | CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C[C@@H](O)[C@@H]2[C@@H]([C@@](C)(O)CCCNCc3ccccc3)CC[C@]21C |
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| 00002000 01001800 00100100 40010600 00000000 00000000 00000000 22001000 00000100 000008c0 00200000 40018000 80008802 00000000 00000400 00000000 00020000 02000000 06002000 10000201 00000000 18068610 10000000 0050001c 00000000 c0000000 00000000 90000040 00004100 01060001 a0060000 00000200 | 00000000 01000000 00100100 00010600 00380000 00000000 00000000 22001000 00000000 000008c0 00200000 40018000 00000802 00800000 00000400 00080008 00000000 02000000 02402000 00000201 00000000 18008010 01000000 00500010 00000000 c0000000 00000000 90000000 00000100 01060000 20060000 00000a00 |