On Target NK1R_HUMAN 0.4054054/CHEMBL1090450
For the given ligand test1, we have found in our database that, being scored 0.4054054, the most similar ligand is CHEMBL1090450. Check out the elaboration below.
| test1 (Given Ligand) | CHEMBL1090450 (Similar Ligand) |
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| CCCCCC(O)C(O)C2/C=C\CC1CC(=O)NCCCCNCCCN12 | C[C@@H](O[C@H]1CN2C(CC(=CC2=O)C3COC(=O)C3)[C@@H]1c4ccc(F)cc4)c5cc(cc(c5)C(F)(F)F)C(F)(F)F |
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| 00010010 89009400 00100800 00000400 00080080 00000000 00180000 20000402 00200000 001081a8 00200200 41031000 0c028102 00810000 00080404 00080108 30000000 00000140 00c12012 00002201 00000000 10040610 07008080 00100018 00201001 00000000 00484000 90000000 00000000 00040411 24020000 02002200 | 00050010 890dd200 00101102 82010700 000800d1 00004010 00180780 20000444 01000980 001808d8 08301200 c0019002 0402810a 01a91000 000c140c 020c1108 38a20000 020001c0 44c12002 4210a201 00010120 18341eb0 1300a080 81500018 00000401 80002000 00c86000 90000001 04000202 8006840b 64120004 02002600 |