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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00012500

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4AT5-OXOHEXANOIC ACIDA,B2EFY0.72
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1EC80.71
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1JDF0.71
GCOGLUCONIC ACIDB,C,D1BGG0.78
GCOGLUCONIC ACIDA,B1XLF0.78
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HFE0.73
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2H8P0.73
B3H(2S)-2-(BUTYRYLOXY)-3-HYDROXYPROPYL NONANOATEC,D2HG50.73
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.7
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.7
1N5(2R,4S)-2,4,7-trihydroxyheptanoic acidA,B3CXO0.83
CS2D-MANNONIC ACIDA,B,C,D2QJM0.78
CS2D-MANNONIC ACIDA,B3DBN0.78
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Y0.71
DDR(2S)-3-hydroxypropane-1,2-diyl didecanoateA2Z9Z0.71
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH10.71
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEC2IH30.71
1EM(1S)-2-HYDROXY-1-[(NONANOYLOXY)METHYL]ETHYL MYRISTATEA,C2P7T0.71
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWG0.72
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWF0.72
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID
A1RWH0.72
1LU4-METHYL-PENTANOIC ACID-2-OXYL GROUPE,I6TMN0.84
1LU4-METHYL-PENTANOIC ACID-2-OXYL GROUPI1DS20.84
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.83
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFF0.73
FTT3-HYDROXY-TETRADECANOIC ACIDA1QJQ0.73
FTT3-HYDROXY-TETRADECANOIC ACIDA,B2GRX0.73
FTT3-HYDROXY-TETRADECANOIC ACIDA1QFG0.73
FTT3-HYDROXY-TETRADECANOIC ACIDA1QKC0.73
FTT3-HYDROXY-TETRADECANOIC ACIDA1FI10.73
FTT3-HYDROXY-TETRADECANOIC ACIDA,B,C,D3FXI0.73
12H12-HYDROXYDODECANOIC ACIDA,B1M6W0.71
2OP(2S)-2-HYDROXYPROPANOIC ACIDA,B,C,D2VK80.74
2OP(2S)-2-HYDROXYPROPANOIC ACID0,1,3,4,9,A,
B,C,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z
1VQ70.74
2OP(2S)-2-HYDROXYPROPANOIC ACID0,1,3,4,9,A,
B,C,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z
1VQ40.74
2OP(2S)-2-HYDROXYPROPANOIC ACIDA,C,E2VOJ0.74
2OP(2S)-2-HYDROXYPROPANOIC ACID0,1,2,3,4,9,
A,B,C,H,J,K,
L,M,N,O,Q,R,
S,T,U,Y,Z
1VQ50.74
2OP(2S)-2-HYDROXYPROPANOIC ACIDA1W9N0.74
GKRD-GLUCARATEA3CXT0.76
GKRD-GLUCARATEA,B1JCT0.76
DMV2,3-DIHYDROXY-VALERIANIC ACIDA,B,C,D1QMG0.77
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.78
GVM(3R)-3-HYDROXY-5,5-DIMETHYLHEXANOIC ACIDA,B2UW10.7
6NAHEXANOIC ACIDA,B2IX40.77
6NAHEXANOIC ACIDA,B2IWZ0.77
6NAHEXANOIC ACIDA2IQ00.77