On Target PA_INFA 0.33476394/CHEMBL2040578
For the given ligand Conivaptan, we have found in our database that, being scored 0.33476394, the most similar ligand is CHEMBL2040578. Check out the elaboration below.
| Conivaptan (Given Ligand) | CHEMBL2040578 (Similar Ligand) |
|---|---|
| Cc6nc5c1ccccc1N(C(=O)c4ccc(NC(=O)c2ccccc2c3ccccc3)cc4)CCc5[nH]6 | CC(NC(=O)c1nc(-c2cnccn2)[nH]c(=O)c1O)c1ccccc1 |
|
|
|
|
|
|
| 0c00e202 00001801 00110100 91010e10 24000060 00008048 00002000 0208304c 00400180 10090a50 20298104 4000c800 03008802 00308001 a1020440 800c0006 04268200 1a002000 0c002000 40400200 44120800 18228600 31016020 1044001d 10841001 c1080280 00000210 800050c0 0401c104 03660c01 e0040820 20000200 | 00000202 00811808 40000100 10050e10 00000068 00124006 00c09800 0a003405 16000100 40180860 08290004 40048810 00008802 00708003 00820400 000c200c 08002068 1200b022 80c00000 10400000 80000000 48008600 21800040 4050011c 00044806 c0000680 28000030 80041004 0000410c 07660c03 c4048000 500006a0 |