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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02432446

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SORD-SORBITOLA1FQA0.83
SORD-SORBITOLA,B,C,D3XIM0.83
SORD-SORBITOLA2VFT0.83
SORD-SORBITOLA,B,C,D5XIM0.83
SORD-SORBITOLA3BRF0.83
SORD-SORBITOLA1XIH0.83
SORD-SORBITOLA2DXR0.83
SORD-SORBITOLA1D8C0.83
SORD-SORBITOLA,B,C,D2XIN0.83
SORD-SORBITOLA1FQB0.83
SORD-SORBITOLA,B4XIA0.83
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA3BXD0.78
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA1IEV0.78
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA1PTG0.78
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA,B,C2OS90.78
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA,B,C,D2R710.78
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA,B1G0I0.78
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA2HUO0.78
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA,B1Y7V0.78
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA1AOD0.78
INS1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANEA,B3EA20.78
CBU(1R,2R,3S,4S,5S,6S)-CYCLOHEXANE-
1,2,3,4,5,6-HEXOL
A,B2VT00.78
DTLD-TREITOLA1H160.81
DTLD-TREITOLA1H170.81
DTLD-TREITOLA,C2AAW0.81
DTLD-TREITOLA,B1H180.81
GUL5-FLUORO-BETA-L-GULOSYL FLUORIDEA1QWN0.8
GUL5-FLUORO-BETA-L-GULOSYL FLUORIDEA1QWU0.8
LXPL-XYLITOL 5-PHOSPHATEA,B1Q6Q0.7
GLF1-FLUORO-ALPHA-1-DEOXY-D-GLUCOSEA1CXL0.78
MQD2-METHYLPENTANE-1,2,4-TRIOLA,B1OAD0.73
FOCFUCITOLA,B,C,D,E,F1FUI0.81
XYLD-XYLITOLA,B1XLC0.85
XYLD-XYLITOLA1S5N0.85
XYLD-XYLITOLA1W3Y0.85
XYLD-XYLITOLA1NJR0.85
XYLD-XYLITOLG,H,L2B4C0.85
XYLD-XYLITOLA,B1FX50.85
XYLD-XYLITOLA,B1XLM0.85
XYLD-XYLITOLA,B,C,D1XIN0.85
XYLD-XYLITOLA,B,C,D2XIM0.85
XYLD-XYLITOLA2VFS0.85
XYLD-XYLITOLA,B,C,D1XIM0.85
XYLD-XYLITOLA2XIS0.85
XYLD-XYLITOLA,B1XLG0.85
XYLD-XYLITOLA,B1XLD0.85
XYLD-XYLITOLA1LTE0.85
XYLD-XYLITOLA,B1XLJ0.85
XYLD-XYLITOLA1XIG0.85
XYLD-XYLITOLA,B5XIA0.85
FMF2-DEOXY-2-FLUOROHEXOPYRANOSYL FLUORIDEA1QX10.84
FU42,6-ANHYDRO-1-DEOXY-D-GALACTITOLA2OBD0.74
FU42,6-ANHYDRO-1-DEOXY-D-GALACTITOLA,D2IWG0.74
MRYMESO-ERYTHRITOLA,B1XPG0.81
MRYMESO-ERYTHRITOLA,B1T7L0.81
MRYMESO-ERYTHRITOLA,B1XDJ0.81
MRYMESO-ERYTHRITOLA,B1XR20.81
2DB(S)-(2,3-DIHYDROXYPROPOXY)TRIHYDROXYBORATEA2ID80.72
3HD3-O-METHYL-O-ALPHA-D-MANNOPYRANOSYLA2HGO0.71
A5PARABINOSE-5-PHOSPHATEA1UJ60.7
A5PARABINOSE-5-PHOSPHATEA,B1FXQ0.7
A5PARABINOSE-5-PHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L
2NX30.7
A5PARABINOSE-5-PHOSPHATEA,B1LRQ0.7
A5PARABINOSE-5-PHOSPHATEA,B2CXP0.7
A5PARABINOSE-5-PHOSPHATEA,B1T8X0.7
A5PARABINOSE-5-PHOSPHATEA,B2EF90.7
A5PARABINOSE-5-PHOSPHATEA,B1FY60.7
A5PARABINOSE-5-PHOSPHATEA,B2NWS0.7
A5PARABINOSE-5-PHOSPHATEA,B2NXG0.7
A5PARABINOSE-5-PHOSPHATEA,B2A2I0.7
A5PARABINOSE-5-PHOSPHATEA,B1FWW0.7
SSE1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY-
3-(SULFOXY)BUTYL]EPISELENONIUMYLIDENE]-
D-ARABINITOL INNER SALT
A1TQV0.74
RNTL-RHAMNITOLA,B,C,D1DE50.81
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
HPD1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATEA,C1L1T0.72
HPD1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATEA,C1L2D0.72
HPD1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATEA,B1JCJ0.72
HPD1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATEA,B1JCL0.72
HPD1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATEA,B,C1RRS0.72
HPD1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATEA,C1L2C0.72
HPD1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATEA,B,C1VRL0.72
HPD1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATEA,B,C,D1UB30.72
MTLD-MANNITOLA,B1ZZU0.83
MTLD-MANNITOLA,B1ZZQ0.83
MTLD-MANNITOLA,B1M2W0.83
MTLD-MANNITOLA2VFU0.83
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
PA3PAROMOMYCIN (RING 3)A1PBR0.71
R5PRIBOSE-5-PHOSPHATEA,B,C,D1U9Z0.7
R5PRIBOSE-5-PHOSPHATEA1V8T0.7
R5PRIBOSE-5-PHOSPHATEA,B1ZHA0.7
R5PRIBOSE-5-PHOSPHATEA,B1ZJI0.7
R5PRIBOSE-5-PHOSPHATEA,B1JCY0.7
R5PRIBOSE-5-PHOSPHATEA,B2R5N0.7
ASO1,5-ANHYDROSORBITOLA1XIE0.73
ASO1,5-ANHYDROSORBITOLA3GUH0.73
ASO1,5-ANHYDROSORBITOLA,B2ASV0.73
ASO1,5-ANHYDROSORBITOLH,L2EC90.73
LX1L-XYLULOSE 5-PHOSPHATEA,B1XBZ0.72
LX1L-XYLULOSE 5-PHOSPHATEA,B1Q6R0.72
DX5D-XYLITOL-5-PHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L
2FLI0.7