On Target 5HT1B_HUMAN 0.3761468/CHEMBL327662
For the given ligand Sitagliptin, we have found in our database that, being scored 0.3761468, the most similar ligand is CHEMBL327662. Check out the elaboration below.
| Sitagliptin (Given Ligand) | CHEMBL327662 (Similar Ligand) |
|---|---|
| N[C@@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc3cc(F)c(F)cc3F | Cn1cnnc1c2ccc3c(c2)c(cn3c4ccc(F)cc4)C5CCN(CCN6CCNC6=O)CC5 |
|
|
|
|
|
|
| 00010040 01002408 40102102 02010e00 01100600 00100016 08800800 28002401 00100900 001929e0 08310120 d4019800 0c009006 04201000 00020800 0008200c 0100d200 020000a2 00400000 00b61a01 00000103 38232600 21000001 83500418 00010010 c0000400 c0400000 90021001 0c344004 00068013 84200080 00400e00 | 0000c002 01002a08 c0180100 46810e10 01045200 00000014 00802004 20083008 00500900 000a08c0 08308104 50018800 0a00a802 00403801 00020040 080c200c 00008010 82802004 00600540 00240205 40100100 38018418 21800803 8350401c 00042000 c0000000 18000040 10000821 0c400004 1006904b 80040a80 00000620 |