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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00018481

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MMN5-DEOXY-5-{[(1S)-1-HYDROXYETHYL]AMINO}-
D-GLUCITOL
A1XUZ0.77
GRF5-O-PHOSPHONO-BETA-D-RIBOFURANOSYLAMINEA1ZLY0.73
GCSD-GLUCOSAMINEA3CO40.77
GCSD-GLUCOSAMINEA1QGI0.77
GCSD-GLUCOSAMINEA,B2VZS0.77
GCSD-GLUCOSAMINEA1E9L0.77
GCSD-GLUCOSAMINEA,B,C,D3FXI0.77
GCSD-GLUCOSAMINEA,B2VZV0.77
MNM(2S,3S,4R,5R)-2,3,4-TRIHYDROXY-
5-HYDROXYMETHYL-PIPERIDINE
A2ALW0.71
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
A1QD30.75
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
B1O9M0.75
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
A1NEM0.75
NOY(2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-
2,3,4-TRIOL
A,B2J750.71
NOY(2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-
2,3,4-TRIOL
A2V3G0.71
NOY(2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-
2,3,4-TRIOL
A,B2VQU0.71
PA1PAROMOMYCIN (RING 1)A1PBR0.77
PA1PAROMOMYCIN (RING 1)A1QKC0.77
PA1PAROMOMYCIN (RING 1)A1QFG0.77
PA1PAROMOMYCIN (RING 1)A1FI10.77
PA1PAROMOMYCIN (RING 1)A,B,C,D3FXI0.77
PA1PAROMOMYCIN (RING 1)A1QFF0.77
AOL(1R,2R,3S,4S,5R)-5-AMINOCYCLOPENTANE-
1,2,3,4-TETROL
A2F7Q0.86
CYY2-DEOXYSTREPTAMINEA1QD30.83
GL6(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-2-YL)-PHOSPHORAMIDIC ACID DIMETHYL ESTER
A1XC70.72
LKA5-THIO-A/B-D-MANNOPYRANOSYLAMINEA1R330.78
GOO(1R,2R,3R,4S,5R)-4-amino-5-methoxycyclopentane-
1,2,3-triol
A3DX40.79
H4P1-DEOXY-6-O-PHOSPHONO-1-[(PHOSPHONOMETHYL)AMINO]-
L-THREO-HEXITOL
A,B1PCW0.75
NEB2-DEOXY-D-STREPTAMINEA1NEM0.83
DMJ1-DEOXYMANNOJIRIMYCINA,B1KRE0.79
DMJ1-DEOXYMANNOJIRIMYCINA1FO20.79
DMJ1-DEOXYMANNOJIRIMYCINA1G6I0.79
DMJ1-DEOXYMANNOJIRIMYCINA1HXK0.79
IMRIMINORIBITOLA,B,C1I800.71
OXZTETRAHYDROOXAZINEA,B1W3J0.81
OXZTETRAHYDROOXAZINEA1W3K0.81
OXZTETRAHYDROOXAZINEA1W3L0.81
NOJ1-DEOXYNOJIRIMYCINA,B1OIM0.79
NOJ1-DEOXYNOJIRIMYCINA,B2J770.79
NOJ1-DEOXYNOJIRIMYCINA,B2JKE0.79
NOJ1-DEOXYNOJIRIMYCINA3GBE0.79
NOJ1-DEOXYNOJIRIMYCINA,B3GXT0.79
NOJ1-DEOXYNOJIRIMYCINA,B1DIE0.79
NOJ1-DEOXYNOJIRIMYCINA1DOG0.79
NOJ1-DEOXYNOJIRIMYCINA,B1I750.79
NOJ1-DEOXYNOJIRIMYCINA,B2PWD0.79
1AB1,4-DIDEOXY-1,4-IMINO-D-ARABINITOLA2G9Q0.71
YHO(1S,2S,3R,4R)-4-aminocyclopentane-
1,2,3-triol
A3DX10.84
TOB1,3-DIAMINO-5,6-DIHYDROXYCYCLOHEXANEA1TOB0.76
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA,B,C,D,E,F1NE70.81
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA2ZJ40.81
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA1MOS0.81
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA,B1HOR0.81
DIG2,5-DIDEOXY-2,5-IMINO-D-GLUCITOLA,B1DID0.75
NOZ(2S,3S,4R,5R)-5-(hydroxymethyl)piperidine-
2,3,4-triol
A,B2VL40.71
TOA3-DEOXY-3-AMINO GLUCOSEA1TOB0.76
TOA3-DEOXY-3-AMINO GLUCOSEA2TOB0.76
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7Y0.7
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7X0.7
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R810.7
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7V0.7
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R800.7
M6R5-AMINO-5-DEOXY-1-O-PHOSPHONO-D-
MANNITOL
A,B,C,D2PUV0.81
GCN3-DEOXY-D-GLUCOSAMINEA1FI10.77
GCN3-DEOXY-D-GLUCOSAMINEA1QFG0.77
GCN3-DEOXY-D-GLUCOSAMINEA1QKC0.77
GCN3-DEOXY-D-GLUCOSAMINEA,B2GRX0.77
GCN3-DEOXY-D-GLUCOSAMINEA1QJQ0.77
GCN3-DEOXY-D-GLUCOSAMINEA1QFF0.77
CGBCALYSTEGINE B2A,B2CBV0.7
PA2PAROMOMYCIN (RING 2)B1O9M0.78
PA2PAROMOMYCIN (RING 2)A1PBR0.78
2TB1,3-DIAMINO-4,5,6-TRIHYDROXY-CYCLOHEXANEA2TOB0.82
DAG4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDEA2PIK0.74
DAG4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDEA6CGT0.74
DAG4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDEA,B1PIK0.74
CGFC-(1-AZIDO-ALPHA-D-GLUCOPYRANOSYL) FORMAMIDEA1P4G0.73
YTB(1R,2R,3S,4R,5R)-5-aminocyclopentane-
1,2,3,4-tetrol
A3DX30.86
GDA4-DEOXY-4-AMINO-BETA-D-GLUCOSEA,B1OCB0.75
GNSN-SULFO-ALPHA-D-GLUCOSAMINEA2ERM0.7
1GN2-DEOXY-2-AMINOGALACTOSEA,B3GAL0.77
DQQ2,5-DIDEOXY-2,5-IMINO-D-MANNITOLA2AEY0.75
TOC2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSEA2TOB0.71
TOC2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSEA1TOB0.71
MSN(1R,2R,3R,4S,5R)-4-AMINO-5-(METHYLTHIO)CYCLOPENTANE-
1,2,3-TRIOL
A2F7O0.72
MSN(1R,2R,3R,4S,5R)-4-AMINO-5-(METHYLTHIO)CYCLOPENTANE-
1,2,3-TRIOL
A3DX00.72
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1CPU0.74
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1NM90.74
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1MFV0.74
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1PIG0.74
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEX1Z320.74
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1MFU0.74
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA3BLK0.74
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEX3BLP0.74
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA3DHP0.74
IDGO-2,6-DIAMINO-2,6-DIDEOXY-BETA-
L-IDOPYRANOSE
A1QD30.75
IDGO-2,6-DIAMINO-2,6-DIDEOXY-BETA-
L-IDOPYRANOSE
A1NEM0.75
IDGO-2,6-DIAMINO-2,6-DIDEOXY-BETA-
L-IDOPYRANOSE
A1PBR0.75