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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03034444

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DTO1-HYDROXYSULFANYL-4-MERCAPTO-BUTANE-
2,3-DIOL
A,B1QMH0.75
GLT5-DEOXY-5-THIO-ALPHA-D-GLUCOSEA,B1XLI0.7
SSO1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY-
3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-
D-ARABINITOL INNER SALT
A1TQS0.7
SGL1-HYDROXY-1-THIO-GLYCEROLA1QFM0.76
D1D(4S,5S)-1,2-DITHIANE-4,5-DIOLA,B,C,D,E1W190.77
D1D(4S,5S)-1,2-DITHIANE-4,5-DIOLA,B,C,D,E1W290.77
D1D(4S,5S)-1,2-DITHIANE-4,5-DIOLA,B2HEI0.77
D1D(4S,5S)-1,2-DITHIANE-4,5-DIOLA,B,C,D3BMM0.77
D1D(4S,5S)-1,2-DITHIANE-4,5-DIOLA,B,C,D3BMO0.77
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B2IYG0.79
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D1O9J0.79
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A3H9M0.79
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D3G360.79
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B1KZI0.79
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A1YWM0.79
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B1TV80.79
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D,E,F,
G,H
1W4R0.79
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D,E2C920.79
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B2IYI0.79
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D3C610.79
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D,E1W190.79
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A2VK30.79
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C2VNF0.79
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,D,E,F,G,
H,I
2BGC0.79
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C2H000.79
SGMMONOTHIOGLYCEROLA,B,C,D1OGU0.79
SGMMONOTHIOGLYCEROLA,B,C,D3DDQ0.79
SGMMONOTHIOGLYCEROLA,B,C,D3DOG0.79
SGMMONOTHIOGLYCEROLA1QFM0.79
SGMMONOTHIOGLYCEROLA,B,C,D1OIY0.79
SGMMONOTHIOGLYCEROLA,B,C,D3BHT0.79
SGMMONOTHIOGLYCEROLA,B,C,D1OIU0.79
SGMMONOTHIOGLYCEROLA,B,C,D2IW80.79
SGMMONOTHIOGLYCEROLA,B,C,D2IW60.79
SGMMONOTHIOGLYCEROLA,B,C,D3BHV0.79
SGMMONOTHIOGLYCEROLA,B,C,D1OI90.79
SGMMONOTHIOGLYCEROLA,B,C,D2IW90.79
DTDDITHIANE DIOLA,B,C,D,E2C970.77
DTDDITHIANE DIOLA2IZX0.77
DTDDITHIANE DIOLA2VJ00.77
DTDDITHIANE DIOLA3GVO0.77
DTDDITHIANE DIOLB,I2C2Z0.77
DTDDITHIANE DIOLA,B,C,D2PVA0.77
DTDDITHIANE DIOLA,B,C1QTN0.77
DTDDITHIANE DIOLA1W800.77
DTDDITHIANE DIOLA,B1E420.77
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
1HKX0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1FX20.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2OLW0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1YRP0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D,E,F,
G,H
2A270.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2V6V0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2PX60.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1N0H0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2BVJ0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1RAM0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1N1C0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1W270.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2IYG0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2ZHG0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2E8E0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D2I9F0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C2EAK0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1B2L0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1VD50.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3BMH0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3G360.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANED1V8Q0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2O300.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D2V8V0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2G8X0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B3HP80.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3BME0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D,E,F,
G,H
1XXX0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D1DQ80.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1F0C0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1H0P0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1IAH0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2J980.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1EAC0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C1X0J0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2HP00.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D,E,F3BBF0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1R430.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1KV50.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3BMQ0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEB,C1X790.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1SV20.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2PNU0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D2A2A0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1MW00.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1FVG0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1ZLQ0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1FA20.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D1O9J0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D,E,F2PAN0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2QSI0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2AMB0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA3GVT0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1KZI0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1TIQ0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3BMO0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1YQD0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2AM90.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3BMF0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2CZD0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3BMD0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2PLR0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA3FVE0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2ZHH0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3BMM0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2PIJ0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1IA90.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D,E,F1F7T0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2IYI0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1KAE0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1N2F0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1FW10.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C1RE50.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2CKO0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1A780.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1DK80.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,D,E,F,G,
H,I
2BGC0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B5TIM0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C2VNF0.79
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C1I3S0.79
2662-(propylsulfanyl)ethanolA2RBP0.76
DTV(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D,E1W190.79
DTV(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A1YVJ0.79
DTV(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D2RAM0.79
DTV(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A3F460.79
DTV(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D1NYT0.79
DTV(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D3G360.79
BU3(R,R)-2,3-BUTANEDIOLA,B2CL50.72
BU3(R,R)-2,3-BUTANEDIOLA1Z2U0.72
BU3(R,R)-2,3-BUTANEDIOLA,B1SMH0.72
BU3(R,R)-2,3-BUTANEDIOLA1XH90.72
BU3(R,R)-2,3-BUTANEDIOLA,B,C,D,E,F,
G,H
2F9P0.72
BU3(R,R)-2,3-BUTANEDIOLA2H900.72
BU3(R,R)-2,3-BUTANEDIOLA,B,C,D,E,F,
G,H
2F9N0.72
BU3(R,R)-2,3-BUTANEDIOLA,B1XH50.72
SSD1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY-
3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-
D-ARABINITOL INNER SALT
A1TQT0.7