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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03089406

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
D1D(4S,5S)-1,2-DITHIANE-4,5-DIOLA,B,C,D,E1W191
D1D(4S,5S)-1,2-DITHIANE-4,5-DIOLA,B,C,D,E1W291
D1D(4S,5S)-1,2-DITHIANE-4,5-DIOLA,B2HEI1
D1D(4S,5S)-1,2-DITHIANE-4,5-DIOLA,B,C,D3BMM1
D1D(4S,5S)-1,2-DITHIANE-4,5-DIOLA,B,C,D3BMO1
DTDDITHIANE DIOLA,B,C,D,E2C971
DTDDITHIANE DIOLA2IZX1
DTDDITHIANE DIOLA2VJ01
DTDDITHIANE DIOLA3GVO1
DTDDITHIANE DIOLB,I2C2Z1
DTDDITHIANE DIOLA,B,C,D2PVA1
DTDDITHIANE DIOLA,B,C1QTN1
DTDDITHIANE DIOLA1W801
DTDDITHIANE DIOLA,B1E421
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B2IYG0.9
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D1O9J0.9
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A3H9M0.9
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D3G360.9
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B1KZI0.9
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A1YWM0.9
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B1TV80.9
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D,E,F,
G,H
1W4R0.9
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D,E2C920.9
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B2IYI0.9
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D3C610.9
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D,E1W190.9
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A2VK30.9
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C2VNF0.9
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,D,E,F,G,
H,I
2BGC0.9
DTU(2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C2H000.9
DTV(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D,E1W190.9
DTV(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A1YVJ0.9
DTV(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D2RAM0.9
DTV(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A3F460.9
DTV(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D1NYT0.9
DTV(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-
DIOL
A,B,C,D3G360.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
1HKX0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1FX20.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2OLW0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1YRP0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D,E,F,
G,H
2A270.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2V6V0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2PX60.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1N0H0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2BVJ0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1RAM0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1N1C0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1W270.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2IYG0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2ZHG0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2E8E0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D2I9F0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C2EAK0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1B2L0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1VD50.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3BMH0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3G360.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANED1V8Q0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2O300.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D2V8V0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2G8X0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B3HP80.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3BME0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D,E,F,
G,H
1XXX0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D1DQ80.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1F0C0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1H0P0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1IAH0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2J980.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1EAC0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C1X0J0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2HP00.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D,E,F3BBF0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1R430.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1KV50.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3BMQ0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEB,C1X790.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1SV20.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2PNU0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D2A2A0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1MW00.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1FVG0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1ZLQ0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1FA20.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D1O9J0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D,E,F2PAN0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2QSI0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2AMB0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA3GVT0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1KZI0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1TIQ0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3BMO0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1YQD0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2AM90.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3BMF0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2CZD0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3BMD0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2PLR0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA3FVE0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA2ZHH0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D3BMM0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2PIJ0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1IA90.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C,D,E,F1F7T0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2IYI0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1KAE0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1N2F0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1FW10.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C1RE50.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B2CKO0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B1A780.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA1DK80.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,D,E,F,G,
H,I
2BGC0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B5TIM0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C2VNF0.9
DTT2,3-DIHYDROXY-1,4-DITHIOBUTANEA,B,C1I3S0.9
DTO1-HYDROXYSULFANYL-4-MERCAPTO-BUTANE-
2,3-DIOL
A,B1QMH0.85
SGMMONOTHIOGLYCEROLA,B,C,D1OGU0.84
SGMMONOTHIOGLYCEROLA,B,C,D3DDQ0.84
SGMMONOTHIOGLYCEROLA,B,C,D3DOG0.84
SGMMONOTHIOGLYCEROLA1QFM0.84
SGMMONOTHIOGLYCEROLA,B,C,D1OIY0.84
SGMMONOTHIOGLYCEROLA,B,C,D3BHT0.84
SGMMONOTHIOGLYCEROLA,B,C,D1OIU0.84
SGMMONOTHIOGLYCEROLA,B,C,D2IW80.84
SGMMONOTHIOGLYCEROLA,B,C,D2IW60.84
SGMMONOTHIOGLYCEROLA,B,C,D3BHV0.84
SGMMONOTHIOGLYCEROLA,B,C,D1OI90.84
SGMMONOTHIOGLYCEROLA,B,C,D2IW90.84
SGL1-HYDROXY-1-THIO-GLYCEROLA1QFM0.81
DT3(2S,3S)-2,3-DIHYDROXY-4-SULFANYLBUTANE-
1-SULFONATE
A1YLH0.76
HED2-HYDROXYETHYL DISULFIDEA1CVK0.73
HED2-HYDROXYETHYL DISULFIDEA3DMV0.73
HED2-HYDROXYETHYL DISULFIDEA1CTW0.73
HED2-HYDROXYETHYL DISULFIDEA248L0.73
HED2-HYDROXYETHYL DISULFIDEA1CV10.73
HED2-HYDROXYETHYL DISULFIDEA249L0.73
HED2-HYDROXYETHYL DISULFIDEA,B,C2Q9E0.73
HED2-HYDROXYETHYL DISULFIDEA1D3N0.73
HED2-HYDROXYETHYL DISULFIDEA3DN80.73
HED2-HYDROXYETHYL DISULFIDEA1P370.73
HED2-HYDROXYETHYL DISULFIDEA1G0M0.73
HED2-HYDROXYETHYL DISULFIDEA1QTC0.73
HED2-HYDROXYETHYL DISULFIDEA186L0.73
HED2-HYDROXYETHYL DISULFIDEA1P3N0.73
HED2-HYDROXYETHYL DISULFIDEA1QSQ0.73
HED2-HYDROXYETHYL DISULFIDEA1KS30.73
HED2-HYDROXYETHYL DISULFIDEA1I6S0.73
HED2-HYDROXYETHYL DISULFIDEA3DN00.73
HED2-HYDROXYETHYL DISULFIDEA3DN20.73
HED2-HYDROXYETHYL DISULFIDEA1LWG0.73
HED2-HYDROXYETHYL DISULFIDEA187L0.73
HED2-HYDROXYETHYL DISULFIDEA1QTB0.73
HED2-HYDROXYETHYL DISULFIDEA1CU50.73
HED2-HYDROXYETHYL DISULFIDEA3DN10.73
HED2-HYDROXYETHYL DISULFIDEA1D3F0.73
HED2-HYDROXYETHYL DISULFIDEA1G0P0.73
HED2-HYDROXYETHYL DISULFIDEA3DMZ0.73
HED2-HYDROXYETHYL DISULFIDEA1D2Y0.73
HED2-HYDROXYETHYL DISULFIDEA215L0.73
HED2-HYDROXYETHYL DISULFIDEA1QT50.73
HED2-HYDROXYETHYL DISULFIDEA252L0.73
HED2-HYDROXYETHYL DISULFIDEA1QUO0.73
HED2-HYDROXYETHYL DISULFIDEA235L0.73
HED2-HYDROXYETHYL DISULFIDEA250L0.73
HED2-HYDROXYETHYL DISULFIDEA1LW90.73
HED2-HYDROXYETHYL DISULFIDEA,B1PKW0.73
HED2-HYDROXYETHYL DISULFIDEA1CV00.73
HED2-HYDROXYETHYL DISULFIDEA3G3V0.73
HED2-HYDROXYETHYL DISULFIDEA1CV60.73
HED2-HYDROXYETHYL DISULFIDEA240L0.73
HED2-HYDROXYETHYL DISULFIDEA,B1PKZ0.73
HED2-HYDROXYETHYL DISULFIDEA241L0.73
HED2-HYDROXYETHYL DISULFIDEA1D2W0.73
HED2-HYDROXYETHYL DISULFIDEA1G0G0.73
HED2-HYDROXYETHYL DISULFIDEA1KY00.73
HED2-HYDROXYETHYL DISULFIDEA244L0.73
HED2-HYDROXYETHYL DISULFIDEA1D3J0.73
HED2-HYDROXYETHYL DISULFIDEA219L0.73
HED2-HYDROXYETHYL DISULFIDEA245L0.73
HED2-HYDROXYETHYL DISULFIDEA192L0.73
HED2-HYDROXYETHYL DISULFIDEA1P460.73
HED2-HYDROXYETHYL DISULFIDEA1G0L0.73
HED2-HYDROXYETHYL DISULFIDEA1KW50.73
HED2-HYDROXYETHYL DISULFIDEA212L0.73
HED2-HYDROXYETHYL DISULFIDEA1LWK0.73
HED2-HYDROXYETHYL DISULFIDEA1P2R0.73
HED2-HYDROXYETHYL DISULFIDEA236L0.73
HED2-HYDROXYETHYL DISULFIDEA,B2O6I0.73
HED2-HYDROXYETHYL DISULFIDEA3DNA0.73
HED2-HYDROXYETHYL DISULFIDEA1CX60.73
HED2-HYDROXYETHYL DISULFIDEA1P6Y0.73
HED2-HYDROXYETHYL DISULFIDEA246L0.73
HED2-HYDROXYETHYL DISULFIDEA1P640.73
HED2-HYDROXYETHYL DISULFIDEA1G0K0.73
HED2-HYDROXYETHYL DISULFIDEA210L0.73
HED2-HYDROXYETHYL DISULFIDEA181L0.73
HED2-HYDROXYETHYL DISULFIDEA1QUG0.73
HED2-HYDROXYETHYL DISULFIDEA182L0.73
HED2-HYDROXYETHYL DISULFIDEA1G0J0.73
HED2-HYDROXYETHYL DISULFIDEA1KY10.73
HED2-HYDROXYETHYL DISULFIDEA3DMX0.73
HED2-HYDROXYETHYL DISULFIDEA191L0.73
HED2-HYDROXYETHYL DISULFIDEA1ZYT0.73
HED2-HYDROXYETHYL DISULFIDEA1L0J0.73
HED2-HYDROXYETHYL DISULFIDEA3CDR0.73
HED2-HYDROXYETHYL DISULFIDEA3DN40.73
HED2-HYDROXYETHYL DISULFIDEA1NHB0.73
HED2-HYDROXYETHYL DISULFIDEA242L0.73
HED2-HYDROXYETHYL DISULFIDEA257L0.73
HED2-HYDROXYETHYL DISULFIDEA1QSB0.73
HED2-HYDROXYETHYL DISULFIDEA1L0K0.73
HED2-HYDROXYETHYL DISULFIDEA185L0.73
HED2-HYDROXYETHYL DISULFIDEA1P2L0.73
HED2-HYDROXYETHYL DISULFIDEA2CUU0.73
HED2-HYDROXYETHYL DISULFIDEA1QS50.73
HED2-HYDROXYETHYL DISULFIDEA1CU00.73
HED2-HYDROXYETHYL DISULFIDEA3DN60.73
HED2-HYDROXYETHYL DISULFIDEA1CV50.73
HED2-HYDROXYETHYL DISULFIDEA188L0.73
HED2-HYDROXYETHYL DISULFIDEA1CV40.73
HED2-HYDROXYETHYL DISULFIDEA3FA00.73
HED2-HYDROXYETHYL DISULFIDEA183L0.73
HED2-HYDROXYETHYL DISULFIDEA184L0.73
HED2-HYDROXYETHYL DISULFIDEA1PQJ0.73
HED2-HYDROXYETHYL DISULFIDEA2F2Q0.73
HED2-HYDROXYETHYL DISULFIDEA243L0.73
HED2-HYDROXYETHYL DISULFIDEA251L0.73
HED2-HYDROXYETHYL DISULFIDEA1CV30.73
HED2-HYDROXYETHYL DISULFIDEA1QTD0.73
HED2-HYDROXYETHYL DISULFIDEA1T8A0.73
HED2-HYDROXYETHYL DISULFIDEA1CUQ0.73
HED2-HYDROXYETHYL DISULFIDEA237L0.73
HED2-HYDROXYETHYL DISULFIDEA247L0.73
HED2-HYDROXYETHYL DISULFIDEA1KW70.73
HED2-HYDROXYETHYL DISULFIDEA1CU30.73
HED2-HYDROXYETHYL DISULFIDEA1CUP0.73
HED2-HYDROXYETHYL DISULFIDEA3F8V0.73
HED2-HYDROXYETHYL DISULFIDEA3G3W0.73
HED2-HYDROXYETHYL DISULFIDEA3G3X0.73
HED2-HYDROXYETHYL DISULFIDEA1CU20.73
HED2-HYDROXYETHYL DISULFIDEA1CX70.73
HED2-HYDROXYETHYL DISULFIDEA1PQO0.73
HED2-HYDROXYETHYL DISULFIDEX3DKE0.73
HED2-HYDROXYETHYL DISULFIDEA1CU60.73
HED2-HYDROXYETHYL DISULFIDEA238L0.73
HED2-HYDROXYETHYL DISULFIDEA2A4T0.73
HED2-HYDROXYETHYL DISULFIDEA1G060.73
HED2-HYDROXYETHYL DISULFIDEA211L0.73
HED2-HYDROXYETHYL DISULFIDEA1PQM0.73
HED2-HYDROXYETHYL DISULFIDEA1QT30.73
HED2-HYDROXYETHYL DISULFIDEA1ZWN0.73
HED2-HYDROXYETHYL DISULFIDEA1D3M0.73
HED2-HYDROXYETHYL DISULFIDEA1QT80.73
HED2-HYDROXYETHYL DISULFIDEA3DN30.73
HED2-HYDROXYETHYL DISULFIDEA1B6I0.73
HED2-HYDROXYETHYL DISULFIDEA1G0Q0.73
HED2-HYDROXYETHYL DISULFIDEA1G070.73
BU3(R,R)-2,3-BUTANEDIOLA,B2CL50.71
BU3(R,R)-2,3-BUTANEDIOLA1Z2U0.71
BU3(R,R)-2,3-BUTANEDIOLA,B1SMH0.71
BU3(R,R)-2,3-BUTANEDIOLA1XH90.71
BU3(R,R)-2,3-BUTANEDIOLA,B,C,D,E,F,
G,H
2F9P0.71
BU3(R,R)-2,3-BUTANEDIOLA2H900.71
BU3(R,R)-2,3-BUTANEDIOLA,B,C,D,E,F,
G,H
2F9N0.71
BU3(R,R)-2,3-BUTANEDIOLA,B1XH50.71