On Target NA_INFB 0.26639345/CHEMBL4175983
For the given ligand Conivaptan, we have found in our database that, being scored 0.26639345, the most similar ligand is CHEMBL4175983. Check out the elaboration below.
| Conivaptan (Given Ligand) | CHEMBL4175983 (Similar Ligand) |
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| Cc6nc5c1ccccc1N(C(=O)c4ccc(NC(=O)c2ccccc2c3ccccc3)cc4)CCc5[nH]6 | CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2ccc(N3CCCC3)cc2)[C@H]1NC(C)=O |
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| 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 | 00074042 09007800 00100100 84010700 20180080 00002810 02080180 3a00140a 11000000 001108c8 40200004 41019001 0402881a 0188a000 00021448 00081008 10a44000 02000060 68c12010 00000201 40100020 38048e80 33008080 02500018 10001401 c0001400 00c04000 90000081 0c008300 00060401 24060000 00800a10 |