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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01629514

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.82
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.82
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.82
IQUN-(2-AMINOETHYL)ISOQUINOLINE-5-
SULFONAMIDE
A,B,C,D2CKE0.73
IQSN-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDEE1YDS0.72
D4GA,B,C,D2FDY0.78
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.74
PIU1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-
2,4,6-TRIMETHYLPYRIDINIUM
A1ZE80.7
3MP3-METHYLPYRIDINEA1EUB0.72
3MP3-METHYLPYRIDINEA1BM60.72
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.82
PYS2-PYRIDINETHIOLA,B1CTE0.79
PYS2-PYRIDINETHIOLA2IPP0.79
5CH5-chloro-6'-methyl-3-[4-(methylsulfonyl)phenyl]-
2,3'-bipyridine
A3CFL0.71
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEB1C5Y0.72
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5U0.72
ESPTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDINEA1C5T0.72
2862-ethenyl-1-methylpyridiniumX2RC20.72
TH4{(2Z)-3-[(6-chloropyridin-3-yl)methyl]-
1,3-thiazolidin-2-ylidene}cyanamide
A,B,C,D,E3C840.7