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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00257365

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2755-amino-1,2-dimethylpyridiniumX2RBW0.7
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D2RFQ0.79
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F2GA40.79
1PS3-PYRIDINIUM-1-YLPROPANE-1-SULFONATEA,B,C,D,E,F1R4P0.79
D4GA,B,C,D2FDY0.75
4AP4-AMINOPYRIDINEA1AEG0.71
NTNISONICOTINAMIDINEA7ADH0.76
IQUN-(2-AMINOETHYL)ISOQUINOLINE-5-
SULFONAMIDE
A,B,C,D2CKE0.72
P1E4-{[4-{[(1R,2R)-2-(dimethylamino)cyclopentyl]amino}-
5-(trifluoromethyl)pyrimidin-2-
yl]amino}-N-methylbenzenesulfonamide
A3H3C0.71
CBQ[(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-
METHYL]-PHOSPHONIC ACID
A,B1T1S0.75
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
A2J9M0.76
APY2-AMINOMETHYL-PYRIDINEA,B,I1HIV0.72
APY2-AMINOMETHYL-PYRIDINEI1IVP0.72
8APN~3~-BENZYLPYRIDINE-2,3-DIAMINEA2OHM0.73
BVF4-METHYLPYRIDIN-2-AMINEA,B3E670.81
BVF4-METHYLPYRIDIN-2-AMINEA2EUT0.81
LZ44-[(6-chloropyrazin-2-yl)amino]benzenesulfonamideA2VTJ0.75
1MSN-[(4-methylpyrimidin-2-yl)carbamoyl]-
2-nitrobenzenesulfonamide
A3E9Y0.71
1BY[2-(PYRIDIN-2-YLAMINO)ETHANE-1,1-
DIYL]BIS(PHOSPHONIC ACID)
A,B2I190.79
SPY4-HYDROSULFONYLPYRIDINEA,B1IDB0.83
PY23-(MERCAPTOMETHYLENE)PYRIDINEA,B1IDA0.73
26DPYRIDINE-2,6-DIAMINEA2ANZ0.78
2AP2-AMINOPYRIDINEA1AEO0.82
3AP3-AMINOPYRIDINEA1AEF0.71
LG45-METHYLPYRIDIN-2-AMINEA2EUP0.82
1SQISOQUINOLIN-1-AMINEA2OHK0.73
MPIIMIDAZO[1,2-A]PYRIDINEA1AEM0.7
3MP3-METHYLPYRIDINEA1EUB0.71
3MP3-METHYLPYRIDINEA1BM60.71
DA1PYRIDINE-2,5-DIAMINEA2AQD0.82
PYS2-PYRIDINETHIOLA,B1CTE0.77
PYS2-PYRIDINETHIOLA2IPP0.77
IQSN-[2-(METHYLAMINO)ETHYL]-5-ISOQUINOLINESULFONAMIDEE1YDS0.71
U554-[(6-AMINO-4-PYRIMIDINYL)AMINO]BENZENESULFONAMIDEA1JSV0.77