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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03211808

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3MP3-METHYLPYRIDINEA1EUB0.73
3MP3-METHYLPYRIDINEA1BM60.73
PYS2-PYRIDINETHIOLA,B1CTE0.8
PYS2-PYRIDINETHIOLA2IPP0.8
2755-amino-1,2-dimethylpyridiniumX2RBW0.7
NTNISONICOTINAMIDINEA7ADH0.71
IQSN-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDEE1YDS0.73
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
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.72
APY2-AMINOMETHYL-PYRIDINEI1IVP0.72
D4GA,B,C,D2FDY0.78
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.75
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.83
IQUN-(2-AMINOETHYL)ISOQUINOLINE-5-
SULFONAMIDE
A,B,C,D2CKE0.74
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
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA,B2ESM0.7
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA,B2F2U0.7
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA2GNI0.7
M775-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINEA1Q8W0.7
PIU1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-
2,4,6-TRIMETHYLPYRIDINIUM
A1ZE80.71
IQP1-(5-ISOQUINOLINESULFONYL)-2-METHYLPIPERAZINEE1YDR0.71