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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02746120

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2OP(2S)-2-HYDROXYPROPANOIC ACIDA,B,C,D2VK80.8
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		1VQ70.8
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		1VQ40.8
2OP(2S)-2-HYDROXYPROPANOIC ACIDA,C,E2VOJ0.8
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		1VQ50.8
2OP(2S)-2-HYDROXYPROPANOIC ACIDA1W9N0.8
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N		1HKX0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1FX20.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2OLW0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1YRP0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D,E,F,
G,H		2A270.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2V6V0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2PX60.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1N0H0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2BVJ0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1RAM0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1N1C0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1W270.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2IYG0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2ZHG0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2E8E0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D2I9F0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C2EAK0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1B2L0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1VD50.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3BMH0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3G360.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANED1V8Q0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2O300.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D2V8V0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2G8X0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B3HP80.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3BME0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D,E,F,
G,H		1XXX0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D1DQ80.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1F0C0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1H0P0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1IAH0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2J980.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1EAC0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C1X0J0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2HP00.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D,E,F3BBF0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1R430.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1KV50.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3BMQ0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEB,C1X790.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1SV20.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2PNU0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D2A2A0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1MW00.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1FVG0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1ZLQ0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1FA20.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D1O9J0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D,E,F2PAN0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2QSI0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2AMB0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA3GVT0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1KZI0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1TIQ0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3BMO0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1YQD0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2AM90.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3BMF0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2CZD0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3BMD0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2PLR0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA3FVE0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2ZHH0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3BMM0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2PIJ0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1IA90.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D,E,F1F7T0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2IYI0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1KAE0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1N2F0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1FW10.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C1RE50.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2CKO0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1A780.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1DK80.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,D,E,F,G,
H,I		2BGC0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B5TIM0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C2VNF0.7
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C1I3S0.7
DTV(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL		A,B,C,D,E1W190.7
DTV(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL		A1YVJ0.7
DTV(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL		A,B,C,D2RAM0.7
DTV(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL		A3F460.7
DTV(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL		A,B,C,D1NYT0.7
DTV(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL		A,B,C,D3G360.7
SGMMONOTHIOGLYCEROLA,B,C,D1OGU0.74
SGMMONOTHIOGLYCEROLA,B,C,D3DDQ0.74
SGMMONOTHIOGLYCEROLA,B,C,D3DOG0.74
SGMMONOTHIOGLYCEROLA1QFM0.74
SGMMONOTHIOGLYCEROLA,B,C,D1OIY0.74
SGMMONOTHIOGLYCEROLA,B,C,D3BHT0.74
SGMMONOTHIOGLYCEROLA,B,C,D1OIU0.74
SGMMONOTHIOGLYCEROLA,B,C,D2IW80.74
SGMMONOTHIOGLYCEROLA,B,C,D2IW60.74
SGMMONOTHIOGLYCEROLA,B,C,D3BHV0.74
SGMMONOTHIOGLYCEROLA,B,C,D1OI90.74
SGMMONOTHIOGLYCEROLA,B,C,D2IW90.74
LACLACTIC ACIDA2FLT0.8
LACLACTIC ACIDA2IMP0.8
LACLACTIC ACIDA1C0Q0.8
LACLACTIC ACIDE,I,P1P110.8
LACLACTIC ACIDA,B2NLI0.8
LACLACTIC ACIDA,B,C,D2PI10.8
LACLACTIC ACIDA1C0R0.8
LACLACTIC ACIDA1UHD0.8
LACLACTIC ACIDC,D1AXD0.8
LACLACTIC ACIDA1QH90.8
LACLACTIC ACIDA2P1E0.8
LACLACTIC ACIDA1K870.8
LACLACTIC ACIDE,I1P120.8
LACLACTIC ACIDA1W3Q0.8
LACLACTIC ACIDA1C0K0.8
LACLACTIC ACIDA,B2FN70.8
LACLACTIC ACIDA1TJ10.8
LACLACTIC ACIDA1TJ00.8
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL		A,B2IYG0.7
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL		A,B,C,D1O9J0.7
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL		A3H9M0.7
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL		A,B,C,D3G360.7
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL		A,B1KZI0.7
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL		A1YWM0.7
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL		A,B1TV80.7
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL		A,B,C,D,E,F,
G,H		1W4R0.7
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL		A,B,C,D,E2C920.7
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL		A,B2IYI0.7
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL		A,B,C,D3C610.7
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL		A,B,C,D,E1W190.7
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL		A2VK30.7
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL		A,B,C2VNF0.7
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL		A,B,D,E,F,G,
H,I		2BGC0.7
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL		A,B,C2H000.7
3SL(2R)-3-SULFOLACTIC ACIDA,B,C1VR00.8
DGY(2R)-2,3-DIHYDROXYPROPANOIC ACIDA,B,C,D2GCG0.74
DGY(2R)-2,3-DIHYDROXYPROPANOIC ACIDA,B2BO60.74
MPTBETA-MERCAPTOPROPIONIC ACIDG,M,P,S1YYL0.74
MPTBETA-MERCAPTOPROPIONIC ACIDG,M,P,S2I600.74
MPTBETA-MERCAPTOPROPIONIC ACIDA,B1XY10.74
MPTBETA-MERCAPTOPROPIONIC ACIDA,B1K090.74
MPTBETA-MERCAPTOPROPIONIC ACIDG,M,P,S1YYM0.74
MPTBETA-MERCAPTOPROPIONIC ACIDG,M,P,S2I5Y0.74
MPTBETA-MERCAPTOPROPIONIC ACIDA,B,C2VDN0.74