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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03874520

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
ASO1,5-ANHYDROSORBITOLA1XIE0.71
ASO1,5-ANHYDROSORBITOLA3GUH0.71
ASO1,5-ANHYDROSORBITOLA,B2ASV0.71
ASO1,5-ANHYDROSORBITOLH,L2EC90.71
MA11,4-dithio-alpha-D-glucopyranoseA1JFH0.83
FRUFRUCTOSEA1FIT0.74
FRUFRUCTOSEA,B,C,D,E,F,
G,H,S,T
3B750.74
FRUFRUCTOSEA,B,C1AF60.74
FRUFRUCTOSEA,B,C2INV0.74
FRUFRUCTOSEA1Y9G0.74
FRUFRUCTOSEA2O510.74
FRUFRUCTOSEA,B1N3P0.74
FRUFRUCTOSEA,B,C,D2HK10.74
FRUFRUCTOSEB,C,F,H,I,K,L2DD40.74
FRUFRUCTOSEA,B,C,D2I580.74
FRUFRUCTOSEA,C1LES0.74
FRUFRUCTOSEA2ADE0.74
FRUFRUCTOSEA,B3BRQ0.74
FRUFRUCTOSEA2HW10.74
FRUFRUCTOSEA2FIT0.74
FRUFRUCTOSEA3FIT0.74
FRUFRUCTOSEA,B1N3Q0.74
FRUFRUCTOSEA2DWJ0.74
GTMO1-METHYL-4-DEOXY-4-THIO-BETA-D-
GLUCOSE
A,B1OCB0.72
GTMO1-METHYL-4-DEOXY-4-THIO-BETA-D-
GLUCOSE
A1P6W0.72
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA,B1KFG0.76
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEX2BOD0.76
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1OCJ0.76
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1UP30.76
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA,B1Q2E0.76
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA,B1QK20.76
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1P6W0.76
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1E5J0.76
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1FCE0.76
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEX2BOG0.76
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA2QNO0.76
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1GZ10.76
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA,B1QM50.76
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1H5V0.76
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1G9J0.76
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1OC50.76
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1UOZ0.76
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA,B1QJW0.76
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1OC70.76
XYLD-XYLITOLA,B1XLC0.73
XYLD-XYLITOLA1S5N0.73
XYLD-XYLITOLA1W3Y0.73
XYLD-XYLITOLA1NJR0.73
XYLD-XYLITOLG,H,L2B4C0.73
XYLD-XYLITOLA,B1FX50.73
XYLD-XYLITOLA,B1XLM0.73
XYLD-XYLITOLA,B,C,D1XIN0.73
XYLD-XYLITOLA,B,C,D2XIM0.73
XYLD-XYLITOLA2VFS0.73
XYLD-XYLITOLA,B,C,D1XIM0.73
XYLD-XYLITOLA2XIS0.73
XYLD-XYLITOLA,B1XLG0.73
XYLD-XYLITOLA,B1XLD0.73
XYLD-XYLITOLA1LTE0.73
XYLD-XYLITOLA,B1XLJ0.73
XYLD-XYLITOLA1XIG0.73
XYLD-XYLITOLA,B5XIA0.73
RIBRIBOSEA1RKD0.76
RIBRIBOSEA1QD30.76
RIBRIBOSEA,B2C400.76
RIBRIBOSEA1RKS0.76
RIBRIBOSEA4RHN0.76
RIBRIBOSEA,B,C,D1GQT0.76
RIBRIBOSEA,B,C,D1RK20.76
RIBRIBOSEA1YOE0.76
LRH6-DEOXY-BETA-L-FRUCTOFURANOSEA2UYT0.72
SSG1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSEA1F9O0.83
SSG1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSEA1OCJ0.83
SSG1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSEA1UOZ0.83
SSG1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSEA1H5V0.83
SSO1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY-
3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-
D-ARABINITOL INNER SALT
A1TQS0.73
FUBbeta-L-arabinofuranoseA3D610.76
FUBbeta-L-arabinofuranoseA3D5Z0.76
AHRALPHA-L-ARABINOFURANOSEA2D440.76
AHRALPHA-L-ARABINOFURANOSEA,B,C2VRQ0.76
AHRALPHA-L-ARABINOFURANOSEA,B1PZ20.76
AHRALPHA-L-ARABINOFURANOSEA,B1V6U0.76
AHRALPHA-L-ARABINOFURANOSEA1UR10.76
AHRALPHA-L-ARABINOFURANOSEA3D610.76
AHRALPHA-L-ARABINOFURANOSEA2D430.76
AHRALPHA-L-ARABINOFURANOSEA,B,C,D,E,F2C7F0.76
AHRALPHA-L-ARABINOFURANOSEA1UR20.76
AHRALPHA-L-ARABINOFURANOSEA,B,C,D,E,F2C8N0.76
AHRALPHA-L-ARABINOFURANOSEA3D5Z0.76
AHRALPHA-L-ARABINOFURANOSEA2CNC0.76
AHRALPHA-L-ARABINOFURANOSEA2BNJ0.76
AHRALPHA-L-ARABINOFURANOSEA2W5O0.76
AHRALPHA-L-ARABINOFURANOSEA,B1V6V0.76
AHRALPHA-L-ARABINOFURANOSEA1WD40.76
AHRALPHA-L-ARABINOFURANOSEB1GYE0.76
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,F1OE50.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L
1Q9X0.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C2NP70.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,D1PM50.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B2OFI0.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,F1OE40.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEU,X1DE80.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B1FZS0.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,C2NQ90.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C,D,E,F2NP60.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATED1PHJ0.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C2NQJ0.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,P,T2OZM0.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEC1N390.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEC1N3A0.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,V,Y1DE90.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,C2IH50.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C,D,E,I2P5O0.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B1FZL0.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C,D,I2P5G0.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C,D1M5R0.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C1Y6F0.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B1P5W0.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,D9MHT0.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,P,T3G6X0.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,P,T3G6V0.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,D1PJJ0.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B1YCT0.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,P,T3G6Y0.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATED2RBA0.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATED1FN70.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEX1M060.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C1P590.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEB,U,X1DEW0.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B1HT40.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,C1QUM0.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B1YCW0.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C,D1IXY0.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C1N480.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,C,E,F,I,J,K2OYQ0.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,F1OE60.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEE,G,I,K2DTU0.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,D,G,H1PH50.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B1HT70.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,G3EI20.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,D,F1N560.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C,D,E,F2IBT0.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,C,D2P660.72
GS11-THIO-BETA-D-GLUCOPYRANOSEA,B1KFG0.84
PAV(2R,4S)-2-METHYL-2,3,3,4-TETRAHYDROXYTETRAHYDROFURANA,B3EJW0.75
PAV(2R,4S)-2-METHYL-2,3,3,4-TETRAHYDROXYTETRAHYDROFURANA1TJY0.75
PA3PAROMOMYCIN (RING 3)A1PBR0.83
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B1NA00.71
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1LBH0.71
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1TLF0.71
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B1NA30.71
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1PX40.71
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C1KRU0.71
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D3DYO0.71
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B2P9H0.71
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1JYX0.71
MA3O1-METHYL-4-DEOXY-4-THIO-ALPHA-
D-GLUCOSE
A1OCJ0.72
MA3O1-METHYL-4-DEOXY-4-THIO-ALPHA-
D-GLUCOSE
A1JFH0.72
MA3O1-METHYL-4-DEOXY-4-THIO-ALPHA-
D-GLUCOSE
A1H5V0.72
MA3O1-METHYL-4-DEOXY-4-THIO-ALPHA-
D-GLUCOSE
A1OC70.72
BDRBETA-D-RIBOFURANOSYLA1NEM0.76
LFRBETA-L-FRUCTO-FURANOSEA2CGJ0.74
LFRBETA-L-FRUCTO-FURANOSEA2CGL0.74
LFRBETA-L-FRUCTO-FURANOSEA1ZX50.74
SSD1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY-
3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-
D-ARABINITOL INNER SALT
A1TQT0.73
GZLBETA-D-GALACTOFURANOSEA2VK20.71
HSUbeta-D-ribofuranoseA,B1QXB0.76
SR15-S-METHYL-5-THIO-ALPHA-D-RIBOFURANOSEA,B2PUN0.78
SR15-S-METHYL-5-THIO-ALPHA-D-RIBOFURANOSEA,B1Z5N0.78
SR15-S-METHYL-5-THIO-ALPHA-D-RIBOFURANOSEA,B2PYW0.78
SSE1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY-
3-(SULFOXY)BUTYL]EPISELENONIUMYLIDENE]-
D-ARABINITOL INNER SALT
A1TQV0.72
XLFbeta-D-xylulofuranoseA,B3CTP0.79
BLT1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY-
3-(SULFOXY)BUTYL]EPISELENONIUMYLIDENE]-
D-ARABINITOL INNER SALT
A1TQW0.72