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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02849408

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DTLD-TREITOLA1H160.71
DTLD-TREITOLA1H170.71
DTLD-TREITOLA,C2AAW0.71
DTLD-TREITOLA,B1H180.71
MQD2-METHYLPENTANE-1,2,4-TRIOLA,B1OAD0.73
BDRBETA-D-RIBOFURANOSYLA1NEM0.78
FOCFUCITOLA,B,C,D,E,F1FUI0.71
BU21,3-BUTANEDIOLA,B1LOL0.72
BU21,3-BUTANEDIOLA,B2RFM0.72
LFRBETA-L-FRUCTO-FURANOSEA2CGJ0.76
LFRBETA-L-FRUCTO-FURANOSEA2CGL0.76
LFRBETA-L-FRUCTO-FURANOSEA1ZX50.76
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,F1OE50.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L
1Q9X0.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C2NP70.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,D1PM50.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B2OFI0.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,F1OE40.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEU,X1DE80.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B1FZS0.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,C2NQ90.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C,D,E,F2NP60.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATED1PHJ0.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C2NQJ0.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,P,T2OZM0.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEC1N390.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEC1N3A0.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,V,Y1DE90.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,C2IH50.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C,D,E,I2P5O0.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B1FZL0.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C,D,I2P5G0.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C,D1M5R0.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C1Y6F0.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B1P5W0.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,D9MHT0.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,P,T3G6X0.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,P,T3G6V0.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,D1PJJ0.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B1YCT0.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,P,T3G6Y0.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATED2RBA0.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATED1FN70.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEX1M060.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C1P590.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEB,U,X1DEW0.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B1HT40.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,C1QUM0.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B1YCW0.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C,D1IXY0.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C1N480.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,C,E,F,I,J,K2OYQ0.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,F1OE60.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEE,G,I,K2DTU0.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,D,G,H1PH50.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B1HT70.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,G3EI20.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,D,F1N560.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,B,C,D,E,F2IBT0.78
3DR1',2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATEA,C,D2P660.78
HSUbeta-D-ribofuranoseA,B1QXB0.78
3HD3-O-METHYL-O-ALPHA-D-MANNOPYRANOSYLA2HGO0.75
PA3PAROMOMYCIN (RING 3)A1PBR0.91
XYLD-XYLITOLA,B1XLC0.74
XYLD-XYLITOLA1S5N0.74
XYLD-XYLITOLA1W3Y0.74
XYLD-XYLITOLA1NJR0.74
XYLD-XYLITOLG,H,L2B4C0.74
XYLD-XYLITOLA,B1FX50.74
XYLD-XYLITOLA,B1XLM0.74
XYLD-XYLITOLA,B,C,D1XIN0.74
XYLD-XYLITOLA,B,C,D2XIM0.74
XYLD-XYLITOLA2VFS0.74
XYLD-XYLITOLA,B,C,D1XIM0.74
XYLD-XYLITOLA2XIS0.74
XYLD-XYLITOLA,B1XLG0.74
XYLD-XYLITOLA,B1XLD0.74
XYLD-XYLITOLA1LTE0.74
XYLD-XYLITOLA,B1XLJ0.74
XYLD-XYLITOLA1XIG0.74
XYLD-XYLITOLA,B5XIA0.74
LRH6-DEOXY-BETA-L-FRUCTOFURANOSEA2UYT0.78
MRYMESO-ERYTHRITOLA,B1XPG0.71
MRYMESO-ERYTHRITOLA,B1T7L0.71
MRYMESO-ERYTHRITOLA,B1XDJ0.71
MRYMESO-ERYTHRITOLA,B1XR20.71
GZLBETA-D-GALACTOFURANOSEA2VK20.72
AI23A-METHYL-5,6-DIHYDRO-FURO[2,3-
D][1,3,2]DIOXABOROLE-2,2,6,6A-TETRAOL
A,B2HJ90.78
AI23A-METHYL-5,6-DIHYDRO-FURO[2,3-
D][1,3,2]DIOXABOROLE-2,2,6,6A-TETRAOL
A1JX60.78
RF51,4-anhydro-2-deoxy-2-fluoro-5-
O-phosphono-D-arabinitol
A,B3DZG0.74
RF51,4-anhydro-2-deoxy-2-fluoro-5-
O-phosphono-D-arabinitol
A,B,C,D,E,F3DZF0.74
FMF2-DEOXY-2-FLUOROHEXOPYRANOSYL FLUORIDEA1QX10.71
SSE1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY-
3-(SULFOXY)BUTYL]EPISELENONIUMYLIDENE]-
D-ARABINITOL INNER SALT
A1TQV0.74
XLFbeta-D-xylulofuranoseA,B3CTP0.82
RNTL-RHAMNITOLA,B,C,D1DE50.71
BLT1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY-
3-(SULFOXY)BUTYL]EPISELENONIUMYLIDENE]-
D-ARABINITOL INNER SALT
A1TQW0.74
DFX1,2-DEOXY-2-FLUORO-XYLOPYRANOSEA1BVV0.78
DFX1,2-DEOXY-2-FLUORO-XYLOPYRANOSEA,B,C,D1UHV0.78
DFX1,2-DEOXY-2-FLUORO-XYLOPYRANOSEA1C5I0.78
FU42,6-ANHYDRO-1-DEOXY-D-GALACTITOLA2OBD0.79
FU42,6-ANHYDRO-1-DEOXY-D-GALACTITOLA,D2IWG0.79
HTOHEPTANE-1,2,3-TRIOLH,L,M2HH10.73
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWT0.73
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXK0.73
HTOHEPTANE-1,2,3-TRIOLH,L,M1RZH0.73
HTOHEPTANE-1,2,3-TRIOLH,L,M2HG30.73
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX30.73
HTOHEPTANE-1,2,3-TRIOLA2PIL0.73
HTOHEPTANE-1,2,3-TRIOLA,B1U190.73
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8D0.73
HTOHEPTANE-1,2,3-TRIOLA,B,C,D3DTU0.73
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX40.73
HTOHEPTANE-1,2,3-TRIOLA,B1HZX0.73
HTOHEPTANE-1,2,3-TRIOLA,B2G870.73
HTOHEPTANE-1,2,3-TRIOLA,B2PED0.73
HTOHEPTANE-1,2,3-TRIOLC,H,L,M3D380.73
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWV0.73
HTOHEPTANE-1,2,3-TRIOLH,L,M1RG50.73
HTOHEPTANE-1,2,3-TRIOLA1KMO0.73
HTOHEPTANE-1,2,3-TRIOLC,H,L,M1L9B0.73
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWU0.73
HTOHEPTANE-1,2,3-TRIOLA1AY20.73
HTOHEPTANE-1,2,3-TRIOLA,B1RP00.73
HTOHEPTANE-1,2,3-TRIOLC,H,L,M2I5N0.73
HTOHEPTANE-1,2,3-TRIOLH,L,M2J8C0.73
HTOHEPTANE-1,2,3-TRIOLH,L,M2HJ60.73
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXJ0.73
HTOHEPTANE-1,2,3-TRIOLL,M1YF60.73
HTOHEPTANE-1,2,3-TRIOLB2BF30.73
HTOHEPTANE-1,2,3-TRIOLA,B2HPY0.73
HTOHEPTANE-1,2,3-TRIOLH,L,M2UX50.73
HTOHEPTANE-1,2,3-TRIOLL,M,X2UXM0.73
HTOHEPTANE-1,2,3-TRIOLH,L,M2UXL0.73
HTOHEPTANE-1,2,3-TRIOLA,B1L9H0.73
HTOHEPTANE-1,2,3-TRIOLA2HI20.73
HTOHEPTANE-1,2,3-TRIOLA,B,D,E,G,H,
J,K
1LGH0.73
HTOHEPTANE-1,2,3-TRIOLH,L,M2UWW0.73
RIBRIBOSEA1RKD0.78
RIBRIBOSEA1QD30.78
RIBRIBOSEA,B2C400.78
RIBRIBOSEA1RKS0.78
RIBRIBOSEA4RHN0.78
RIBRIBOSEA,B,C,D1GQT0.78
RIBRIBOSEA,B,C,D1RK20.78
RIBRIBOSEA1YOE0.78
ASO1,5-ANHYDROSORBITOLA1XIE0.73
ASO1,5-ANHYDROSORBITOLA3GUH0.73
ASO1,5-ANHYDROSORBITOLA,B2ASV0.73
ASO1,5-ANHYDROSORBITOLH,L2EC90.73
FRUFRUCTOSEA1FIT0.76
FRUFRUCTOSEA,B,C,D,E,F,
G,H,S,T
3B750.76
FRUFRUCTOSEA,B,C1AF60.76
FRUFRUCTOSEA,B,C2INV0.76
FRUFRUCTOSEA1Y9G0.76
FRUFRUCTOSEA2O510.76
FRUFRUCTOSEA,B1N3P0.76
FRUFRUCTOSEA,B,C,D2HK10.76
FRUFRUCTOSEB,C,F,H,I,K,L2DD40.76
FRUFRUCTOSEA,B,C,D2I580.76
FRUFRUCTOSEA,C1LES0.76
FRUFRUCTOSEA2ADE0.76
FRUFRUCTOSEA,B3BRQ0.76
FRUFRUCTOSEA2HW10.76
FRUFRUCTOSEA2FIT0.76
FRUFRUCTOSEA3FIT0.76
FRUFRUCTOSEA,B1N3Q0.76
FRUFRUCTOSEA2DWJ0.76
FUBbeta-L-arabinofuranoseA3D610.78
FUBbeta-L-arabinofuranoseA3D5Z0.78
PAV(2R,4S)-2-METHYL-2,3,3,4-TETRAHYDROXYTETRAHYDROFURANA,B3EJW0.86
PAV(2R,4S)-2-METHYL-2,3,3,4-TETRAHYDROXYTETRAHYDROFURANA1TJY0.86
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
AHRALPHA-L-ARABINOFURANOSEA2D440.78
AHRALPHA-L-ARABINOFURANOSEA,B,C2VRQ0.78
AHRALPHA-L-ARABINOFURANOSEA,B1PZ20.78
AHRALPHA-L-ARABINOFURANOSEA,B1V6U0.78
AHRALPHA-L-ARABINOFURANOSEA1UR10.78
AHRALPHA-L-ARABINOFURANOSEA3D610.78
AHRALPHA-L-ARABINOFURANOSEA2D430.78
AHRALPHA-L-ARABINOFURANOSEA,B,C,D,E,F2C7F0.78
AHRALPHA-L-ARABINOFURANOSEA1UR20.78
AHRALPHA-L-ARABINOFURANOSEA,B,C,D,E,F2C8N0.78
AHRALPHA-L-ARABINOFURANOSEA3D5Z0.78
AHRALPHA-L-ARABINOFURANOSEA2CNC0.78
AHRALPHA-L-ARABINOFURANOSEA2BNJ0.78
AHRALPHA-L-ARABINOFURANOSEA2W5O0.78
AHRALPHA-L-ARABINOFURANOSEA,B1V6V0.78
AHRALPHA-L-ARABINOFURANOSEA1WD40.78
AHRALPHA-L-ARABINOFURANOSEB1GYE0.78