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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00013671

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2662-(propylsulfanyl)ethanolA2RBP0.78
SGL1-HYDROXY-1-THIO-GLYCEROLA1QFM0.79
SGMMONOTHIOGLYCEROLA,B,C,D1OGU0.81
SGMMONOTHIOGLYCEROLA,B,C,D3DDQ0.81
SGMMONOTHIOGLYCEROLA,B,C,D3DOG0.81
SGMMONOTHIOGLYCEROLA1QFM0.81
SGMMONOTHIOGLYCEROLA,B,C,D1OIY0.81
SGMMONOTHIOGLYCEROLA,B,C,D3BHT0.81
SGMMONOTHIOGLYCEROLA,B,C,D1OIU0.81
SGMMONOTHIOGLYCEROLA,B,C,D2IW80.81
SGMMONOTHIOGLYCEROLA,B,C,D2IW60.81
SGMMONOTHIOGLYCEROLA,B,C,D3BHV0.81
SGMMONOTHIOGLYCEROLA,B,C,D1OI90.81
SGMMONOTHIOGLYCEROLA,B,C,D2IW90.81
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B2IYG0.82
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D1O9J0.82
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A3H9M0.82
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D3G360.82
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B1KZI0.82
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A1YWM0.82
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B1TV80.82
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D,E,F,
G,H
1W4R0.82
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D,E2C920.82
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B2IYI0.82
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D3C610.82
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D,E1W190.82
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A2VK30.82
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C2VNF0.82
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,D,E,F,G,
H,I
2BGC0.82
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C2H000.82
DTO1-HYDROXYSULFANYL-4-MERCAPTO-BUTANE-
2,3-DIOL
A,B1QMH0.77
BU3(R,R)-2,3-BUTANEDIOLA,B2CL50.74
BU3(R,R)-2,3-BUTANEDIOLA1Z2U0.74
BU3(R,R)-2,3-BUTANEDIOLA,B1SMH0.74
BU3(R,R)-2,3-BUTANEDIOLA1XH90.74
BU3(R,R)-2,3-BUTANEDIOLA,B,C,D,E,F,
G,H
2F9P0.74
BU3(R,R)-2,3-BUTANEDIOLA2H900.74
BU3(R,R)-2,3-BUTANEDIOLA,B,C,D,E,F,
G,H
2F9N0.74
BU3(R,R)-2,3-BUTANEDIOLA,B1XH50.74
DTV(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D,E1W190.82
DTV(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A1YVJ0.82
DTV(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D2RAM0.82
DTV(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A3F460.82
DTV(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D1NYT0.82
DTV(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D3G360.82
D1D(4S,5S)-1,2-DITHIANE-4,5-DIOLA,B,C,D,E1W190.79
D1D(4S,5S)-1,2-DITHIANE-4,5-DIOLA,B,C,D,E1W290.79
D1D(4S,5S)-1,2-DITHIANE-4,5-DIOLA,B2HEI0.79
D1D(4S,5S)-1,2-DITHIANE-4,5-DIOLA,B,C,D3BMM0.79
D1D(4S,5S)-1,2-DITHIANE-4,5-DIOLA,B,C,D3BMO0.79
PGOS-1,2-PROPANEDIOLA2Z3V0.71
PGOS-1,2-PROPANEDIOLA,B1WOM0.71
PGOS-1,2-PROPANEDIOLA,B,E,L1DIO0.71
PGOS-1,2-PROPANEDIOLA,B1R9E0.71
PGOS-1,2-PROPANEDIOLA,B,C,D2PJM0.71
PGOS-1,2-PROPANEDIOLA,L1EGM0.71
PGOS-1,2-PROPANEDIOLA1K6E0.71
PGOS-1,2-PROPANEDIOLA2RIL0.71
PGOS-1,2-PROPANEDIOLA,B,C3GDH0.71
PGOS-1,2-PROPANEDIOLA,B1EX00.71
PGOS-1,2-PROPANEDIOLA,B,C,D,E,F,
G,H
2OIF0.71
PGOS-1,2-PROPANEDIOLA,B3BXP0.71
PGOS-1,2-PROPANEDIOLA,B2EWG0.71
PGOS-1,2-PROPANEDIOLA,L1EGV0.71
PGOS-1,2-PROPANEDIOLA2IZS0.71
PGOS-1,2-PROPANEDIOLA,B,C,D2V9N0.71
PGOS-1,2-PROPANEDIOLA,B,N,P1HHY0.71
PGOS-1,2-PROPANEDIOLA,B2J1P0.71
PGOS-1,2-PROPANEDIOLA2V9L0.71
PGOS-1,2-PROPANEDIOLA,B1RRM0.71
PGOS-1,2-PROPANEDIOLA,B3BF50.71
PGOS-1,2-PROPANEDIOLA1DS10.71
PGOS-1,2-PROPANEDIOLA,B2VZ60.71
PGOS-1,2-PROPANEDIOLA,B1HQS0.71
PGOS-1,2-PROPANEDIOLA2ODV0.71
PGOS-1,2-PROPANEDIOLA,B,E,L1IWP0.71
PGOS-1,2-PROPANEDIOLA,B3BEM0.71
PGOS-1,2-PROPANEDIOLA,L1EEX0.71
PGOS-1,2-PROPANEDIOLA3BQR0.71
PGOS-1,2-PROPANEDIOLA3D710.71
PGOS-1,2-PROPANEDIOLA,B1EVU0.71
PGOS-1,2-PROPANEDIOLA2IZR0.71
PGOS-1,2-PROPANEDIOLA,B,E,L1UC40.71
PGOS-1,2-PROPANEDIOLA,B2E7Y0.71
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
1HKX0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1FX20.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2OLW0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1YRP0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D,E,F,
G,H
2A270.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2V6V0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2PX60.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1N0H0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2BVJ0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1RAM0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1N1C0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1W270.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2IYG0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2ZHG0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2E8E0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D2I9F0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C2EAK0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1B2L0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1VD50.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3BMH0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3G360.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANED1V8Q0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2O300.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D2V8V0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2G8X0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B3HP80.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3BME0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D,E,F,
G,H
1XXX0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D1DQ80.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1F0C0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1H0P0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1IAH0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2J980.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1EAC0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C1X0J0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2HP00.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D,E,F3BBF0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1R430.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1KV50.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3BMQ0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEB,C1X790.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1SV20.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2PNU0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D2A2A0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1MW00.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1FVG0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1ZLQ0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1FA20.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D1O9J0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D,E,F2PAN0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2QSI0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2AMB0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA3GVT0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1KZI0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1TIQ0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3BMO0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1YQD0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2AM90.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3BMF0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2CZD0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3BMD0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2PLR0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA3FVE0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2ZHH0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3BMM0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2PIJ0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1IA90.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D,E,F1F7T0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2IYI0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1KAE0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1N2F0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1FW10.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C1RE50.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2CKO0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1A780.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1DK80.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,D,E,F,G,
H,I
2BGC0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B5TIM0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C2VNF0.82
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C1I3S0.82
PGRR-1,2-PROPANEDIOLA,B3BXP0.71
PGRR-1,2-PROPANEDIOLA,B,C,P1HHZ0.71
PGRR-1,2-PROPANEDIOLA2PC00.71
PGRR-1,2-PROPANEDIOLA,B,C3GDH0.71
PGRR-1,2-PROPANEDIOLA2VBK0.71
PGRR-1,2-PROPANEDIOLA,B1HQS0.71
PGRR-1,2-PROPANEDIOLA1YIQ0.71
PGRR-1,2-PROPANEDIOLA3EO70.71
PGRR-1,2-PROPANEDIOLA1REM0.71
PGRR-1,2-PROPANEDIOLA2V2B0.71
PGRR-1,2-PROPANEDIOLA,B,E,L1UC50.71
PGRR-1,2-PROPANEDIOLA2HB40.71
DTDDITHIANE DIOLA,B,C,D,E2C970.79
DTDDITHIANE DIOLA2IZX0.79
DTDDITHIANE DIOLA2VJ00.79
DTDDITHIANE DIOLA3GVO0.79
DTDDITHIANE DIOLB,I2C2Z0.79
DTDDITHIANE DIOLA,B,C,D2PVA0.79
DTDDITHIANE DIOLA,B,C1QTN0.79
DTDDITHIANE DIOLA1W800.79
DTDDITHIANE DIOLA,B1E420.79