On Target NK1R_HUMAN 0.375/CHEMBL3922759
For the given ligand STX, we have found in our database that, being scored 0.375, the most similar ligand is CHEMBL3922759. Check out the elaboration below.
| STX (Given Ligand) | CHEMBL3922759 (Similar Ligand) |
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| N=C3NC1C(COC(N)=O)NC(=N)N2CCC(O)(O)C12N3 | C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCOC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 |
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| 00000010 01400400 00100302 04210f00 00180080 00000010 00040005 a0002000 00200600 000201e2 06200002 40038000 0100b202 02802300 00001000 00380008 30a70010 00002000 00c02040 00000201 00000100 30032c30 13000081 02100010 00010003 00080002 40000200 30000000 08000210 00040017 801a0001 00002a00 | 00000000 014d3000 00100102 84010700 001800d1 0801c000 00000400 a2001048 00b00b00 000908d0 08301000 50038002 00008802 01a12100 001c1408 021a1008 18a20000 02080000 04c02800 40000201 00010120 38148c70 13000081 02500018 00000400 c0002002 00080200 90200021 08000302 00060007 e0160004 02002e00 |