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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03878097

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LRH6-DEOXY-BETA-L-FRUCTOFURANOSEA2UYT0.74
MA24-S-methyl-4-thio-alpha-D-glucopyranoseA1JFH0.7
GS11-THIO-BETA-D-GLUCOPYRANOSEA,B1KFG0.83
SSG1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSEA1F9O0.81
SSG1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSEA1OCJ0.81
SSG1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSEA1UOZ0.81
SSG1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSEA1H5V0.81
HSUbeta-D-ribofuranoseA,B1QXB0.74
SR15-S-METHYL-5-THIO-ALPHA-D-RIBOFURANOSEA,B2PUN0.8
SR15-S-METHYL-5-THIO-ALPHA-D-RIBOFURANOSEA,B1Z5N0.8
SR15-S-METHYL-5-THIO-ALPHA-D-RIBOFURANOSEA,B2PYW0.8
3HD3-O-METHYL-O-ALPHA-D-MANNOPYRANOSYLA2HGO0.72
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,F1OE50.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L
1Q9X0.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C2NP70.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,D1PM50.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B2OFI0.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,F1OE40.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEU,X1DE80.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B1FZS0.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,C2NQ90.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C,D,E,F2NP60.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATED1PHJ0.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C2NQJ0.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,P,T2OZM0.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEC1N390.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEC1N3A0.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,V,Y1DE90.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,C2IH50.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C,D,E,I2P5O0.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B1FZL0.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C,D,I2P5G0.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C,D1M5R0.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C1Y6F0.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B1P5W0.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,D9MHT0.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,P,T3G6X0.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,P,T3G6V0.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,D1PJJ0.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B1YCT0.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,P,T3G6Y0.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATED2RBA0.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATED1FN70.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEX1M060.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C1P590.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEB,U,X1DEW0.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B1HT40.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,C1QUM0.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B1YCW0.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C,D1IXY0.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C1N480.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,C,E,F,I,J,K2OYQ0.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,F1OE60.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEE,G,I,K2DTU0.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,D,G,H1PH50.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B1HT70.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,G3EI20.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,D,F1N560.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C,D,E,F2IBT0.7
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,C,D2P660.7
BDRBETA-D-RIBOFURANOSYLA1NEM0.74
SOG2-HYDROXYMETHYL-6-OCTYLSULFANYL-
TETRAHYDRO-PYRAN-3,4,5-TRIOL
A1J2Z0.7
SOG2-HYDROXYMETHYL-6-OCTYLSULFANYL-
TETRAHYDRO-PYRAN-3,4,5-TRIOL
A,B1VA50.7
SOG2-HYDROXYMETHYL-6-OCTYLSULFANYL-
TETRAHYDRO-PYRAN-3,4,5-TRIOL
A,B,C,D2VT40.7
FRUFRUCTOSEA1FIT0.72
FRUFRUCTOSEA,B,C,D,E,F,
G,H,S,T
3B750.72
FRUFRUCTOSEA,B,C1AF60.72
FRUFRUCTOSEA,B,C2INV0.72
FRUFRUCTOSEA1Y9G0.72
FRUFRUCTOSEA2O510.72
FRUFRUCTOSEA,B1N3P0.72
FRUFRUCTOSEA,B,C,D2HK10.72
FRUFRUCTOSEB,C,F,H,I,K,L2DD40.72
FRUFRUCTOSEA,B,C,D2I580.72
FRUFRUCTOSEA,C1LES0.72
FRUFRUCTOSEA2ADE0.72
FRUFRUCTOSEA,B3BRQ0.72
FRUFRUCTOSEA2HW10.72
FRUFRUCTOSEA2FIT0.72
FRUFRUCTOSEA3FIT0.72
FRUFRUCTOSEA,B1N3Q0.72
FRUFRUCTOSEA2DWJ0.72
XLFbeta-D-xylulofuranoseA,B3CTP0.77
SSD1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY-
3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-
D-ARABINITOL INNER SALT
A1TQT0.71
MA11,4-dithio-alpha-D-glucopyranoseA1JFH0.81
GTMO1-METHYL-4-DEOXY-4-THIO-BETA-D-
GLUCOSE
A,B1OCB0.74
GTMO1-METHYL-4-DEOXY-4-THIO-BETA-D-
GLUCOSE
A1P6W0.74
HTGHEPTYL 1-THIOHEXOPYRANOSIDEB2PL70.72
HTGHEPTYL 1-THIOHEXOPYRANOSIDEF,H2PL60.72
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B1U190.72
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA2VNJ0.72
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B,C,D,E,F,
G,H
3EJE0.72
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B2G870.72
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B2PED0.72
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA2VNI0.72
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B,C,D,E,F,
G,H
3EJB0.72
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA2VNH0.72
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA2BGI0.72
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B,C,D,E,F,
G,H
3EJD0.72
HTGHEPTYL 1-THIOHEXOPYRANOSIDEA,B2HPY0.72
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B1NA00.73
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1LBH0.73
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1TLF0.73
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B1NA30.73
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1PX40.73
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C1KRU0.73
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D3DYO0.73
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B2P9H0.73
IPTISOPROPYL-1-BETA-D-THIOGALACTOSIDEA,B,C,D1JYX0.73
SSO1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY-
3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-
D-ARABINITOL INNER SALT
A1TQS0.71
PA3PAROMOMYCIN (RING 3)A1PBR0.8
AHRALPHA-L-ARABINOFURANOSEA2D440.74
AHRALPHA-L-ARABINOFURANOSEA,B,C2VRQ0.74
AHRALPHA-L-ARABINOFURANOSEA,B1PZ20.74
AHRALPHA-L-ARABINOFURANOSEA,B1V6U0.74
AHRALPHA-L-ARABINOFURANOSEA1UR10.74
AHRALPHA-L-ARABINOFURANOSEA3D610.74
AHRALPHA-L-ARABINOFURANOSEA2D430.74
AHRALPHA-L-ARABINOFURANOSEA,B,C,D,E,F2C7F0.74
AHRALPHA-L-ARABINOFURANOSEA1UR20.74
AHRALPHA-L-ARABINOFURANOSEA,B,C,D,E,F2C8N0.74
AHRALPHA-L-ARABINOFURANOSEA3D5Z0.74
AHRALPHA-L-ARABINOFURANOSEA2CNC0.74
AHRALPHA-L-ARABINOFURANOSEA2BNJ0.74
AHRALPHA-L-ARABINOFURANOSEA2W5O0.74
AHRALPHA-L-ARABINOFURANOSEA,B1V6V0.74
AHRALPHA-L-ARABINOFURANOSEA1WD40.74
AHRALPHA-L-ARABINOFURANOSEB1GYE0.74
XYLD-XYLITOLA,B1XLC0.71
XYLD-XYLITOLA1S5N0.71
XYLD-XYLITOLA1W3Y0.71
XYLD-XYLITOLA1NJR0.71
XYLD-XYLITOLG,H,L2B4C0.71
XYLD-XYLITOLA,B1FX50.71
XYLD-XYLITOLA,B1XLM0.71
XYLD-XYLITOLA,B,C,D1XIN0.71
XYLD-XYLITOLA,B,C,D2XIM0.71
XYLD-XYLITOLA2VFS0.71
XYLD-XYLITOLA,B,C,D1XIM0.71
XYLD-XYLITOLA2XIS0.71
XYLD-XYLITOLA,B1XLG0.71
XYLD-XYLITOLA,B1XLD0.71
XYLD-XYLITOLA1LTE0.71
XYLD-XYLITOLA,B1XLJ0.71
XYLD-XYLITOLA1XIG0.71
XYLD-XYLITOLA,B5XIA0.71
FUBbeta-L-arabinofuranoseA3D610.74
FUBbeta-L-arabinofuranoseA3D5Z0.74
FU42,6-ANHYDRO-1-DEOXY-D-GALACTITOLA2OBD0.71
FU42,6-ANHYDRO-1-DEOXY-D-GALACTITOLA,D2IWG0.71
RIBRIBOSEA1RKD0.74
RIBRIBOSEA1QD30.74
RIBRIBOSEA,B2C400.74
RIBRIBOSEA1RKS0.74
RIBRIBOSEA4RHN0.74
RIBRIBOSEA,B,C,D1GQT0.74
RIBRIBOSEA,B,C,D1RK20.74
RIBRIBOSEA1YOE0.74
BLT1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY-
3-(SULFOXY)BUTYL]EPISELENONIUMYLIDENE]-
D-ARABINITOL INNER SALT
A1TQW0.7
SSE1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY-
3-(SULFOXY)BUTYL]EPISELENONIUMYLIDENE]-
D-ARABINITOL INNER SALT
A1TQV0.7
PAV(2R,4S)-2-METHYL-2,3,3,4-TETRAHYDROXYTETRAHYDROFURANA,B3EJW0.77
PAV(2R,4S)-2-METHYL-2,3,3,4-TETRAHYDROXYTETRAHYDROFURANA1TJY0.77
MA3O1-METHYL-4-DEOXY-4-THIO-ALPHA-
D-GLUCOSE
A1OCJ0.74
MA3O1-METHYL-4-DEOXY-4-THIO-ALPHA-
D-GLUCOSE
A1JFH0.74
MA3O1-METHYL-4-DEOXY-4-THIO-ALPHA-
D-GLUCOSE
A1H5V0.74
MA3O1-METHYL-4-DEOXY-4-THIO-ALPHA-
D-GLUCOSE
A1OC70.74
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA,B1KFG0.75
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEX2BOD0.75
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1OCJ0.75
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1UP30.75
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA,B1Q2E0.75
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA,B1QK20.75
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1P6W0.75
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1E5J0.75
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1FCE0.75
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEX2BOG0.75
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA2QNO0.75
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1GZ10.75
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA,B1QM50.75
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1H5V0.75
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1G9J0.75
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1OC50.75
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1UOZ0.75
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA,B1QJW0.75
SGC4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSEA1OC70.75
AI23A-METHYL-5,6-DIHYDRO-FURO[2,3-
D][1,3,2]DIOXABOROLE-2,2,6,6A-TETRAOL
A,B2HJ90.71
AI23A-METHYL-5,6-DIHYDRO-FURO[2,3-
D][1,3,2]DIOXABOROLE-2,2,6,6A-TETRAOL
A1JX60.71
LFRBETA-L-FRUCTO-FURANOSEA2CGJ0.72
LFRBETA-L-FRUCTO-FURANOSEA2CGL0.72
LFRBETA-L-FRUCTO-FURANOSEA1ZX50.72