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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00008500

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.8
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.8
3MP3-METHYLPYRIDINEA1EUB0.74
3MP3-METHYLPYRIDINEA1BM60.74
NTNISONICOTINAMIDINEA7ADH0.76
D4GA,B,C,D2FDY0.74
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.79
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.72
26DPYRIDINE-2,6-DIAMINEA2ANZ0.77
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.72
APY2-AMINOMETHYL-PYRIDINEI1IVP0.72
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.74
CBQ[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1S0.74
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA2OPM0.72
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYF0.72
NI93-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUMA,B3DYG0.72
1SQISOQUINOLIN-1-AMINEA2OHK0.74
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.8
PYS2-PYRIDINETHIOLA,B1CTE0.75
PYS2-PYRIDINETHIOLA2IPP0.75
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.78
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.78
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.78
P1E4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-
5-(trifluoromethyl)pyrimidin-2-
yl]amino}-N-methylbenzenesulfonamide
A3H3C0.7
PY86-BROMO-13-THIA-2,4,8,12,19-PENTAAZATRICYCLO[12.3.1.1~3,7~]NONADECA-
1(18),3(19),4,6,14,16-HEXAENE 13,13-
DIOXIDE
A2J9M0.7
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.78
2862-ethenyl-1-methylpyridiniumX2RC20.72
U554-[(6-AMINO-4-PYRIMIDINYL)AMINO]BENZENESULFONAMIDEA1JSV0.72
DA1PYRIDINE-2,5-DIAMINEA2AQD0.8
2AP2-AMINOPYRIDINEA1AEO0.81