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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02387941

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
XDNPIPERIDINE-3,4,5-TRIOLA1V0K0.75
XDNPIPERIDINE-3,4,5-TRIOLA1V0M0.75
XDNPIPERIDINE-3,4,5-TRIOLA1FH70.75
YTB(1R,2R,3S,4R,5R)-5-aminocyclopentane-
1,2,3,4-tetrol
A3DX30.9
2TB1,3-DIAMINO-4,5,6-TRIHYDROXY-CYCLOHEXANEA2TOB0.75
NEB2-DEOXY-D-STREPTAMINEA1NEM0.76
GRF5-O-PHOSPHONO-BETA-D-RIBOFURANOSYLAMINEA1ZLY0.75
PA1PAROMOMYCIN (RING 1)A1PBR0.7
PA1PAROMOMYCIN (RING 1)A1QKC0.7
PA1PAROMOMYCIN (RING 1)A1QFG0.7
PA1PAROMOMYCIN (RING 1)A1FI10.7
PA1PAROMOMYCIN (RING 1)A,B,C,D3FXI0.7
PA1PAROMOMYCIN (RING 1)A1QFF0.7
GCSD-GLUCOSAMINEA3CO40.7
GCSD-GLUCOSAMINEA1QGI0.7
GCSD-GLUCOSAMINEA,B2VZS0.7
GCSD-GLUCOSAMINEA1E9L0.7
GCSD-GLUCOSAMINEA,B,C,D3FXI0.7
GCSD-GLUCOSAMINEA,B2VZV0.7
MMN5-DEOXY-5-{[(1S)-1-HYDROXYETHYL]AMINO}-
D-GLUCITOL
A1XUZ0.7
TOB1,3-DIAMINO-5,6-DIHYDROXYCYCLOHEXANEA1TOB0.75
M6R5-AMINO-5-DEOXY-1-O-PHOSPHONO-D-
MANNITOL
A,B,C,D2PUV0.74
CYY2-DEOXYSTREPTAMINEA1QD30.76
DFU(2S,3R,4S,5R)-2-METHYLPIPERIDINE-
3,4,5-TRIOL
A,B2EAC0.71
1AB1,4-DIDEOXY-1,4-IMINO-D-ARABINITOLA2G9Q0.76
NOZ(2S,3S,4R,5R)-5-(hydroxymethyl)piperidine-
2,3,4-triol
A,B2VL40.73
GOO(1R,2R,3R,4S,5R)-4-amino-5-methoxycyclopentane-
1,2,3-triol
A3DX40.81
IMRIMINORIBITOLA,B,C1I800.76
OXZTETRAHYDROOXAZINEA,B1W3J0.88
OXZTETRAHYDROOXAZINEA1W3K0.88
OXZTETRAHYDROOXAZINEA1W3L0.88
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA,B,C,D,E,F1NE70.74
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA2ZJ40.74
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA1MOS0.74
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA,B1HOR0.74
XIFPIPERIDINE-3,4-DIOLA1V0L0.73
XIFPIPERIDINE-3,4-DIOLA1V0N0.73
XIFPIPERIDINE-3,4-DIOLA1FH80.73
PA2PAROMOMYCIN (RING 2)B1O9M0.77
PA2PAROMOMYCIN (RING 2)A1PBR0.77
TX4L-THREONOHYDROXAMATE 4-PHOSPHATEA,B1Q6L0.72
TX4L-THREONOHYDROXAMATE 4-PHOSPHATEA,B1SO40.72
TX4L-THREONOHYDROXAMATE 4-PHOSPHATEA,B1SO50.72
TX4L-THREONOHYDROXAMATE 4-PHOSPHATEA,B1SO30.72
TX4L-THREONOHYDROXAMATE 4-PHOSPHATEA,B1SO60.72
YHO(1S,2S,3R,4R)-4-aminocyclopentane-
1,2,3-triol
A3DX10.88
GCN3-DEOXY-D-GLUCOSAMINEA1FI10.7
GCN3-DEOXY-D-GLUCOSAMINEA1QFG0.7
GCN3-DEOXY-D-GLUCOSAMINEA1QKC0.7
GCN3-DEOXY-D-GLUCOSAMINEA,B2GRX0.7
GCN3-DEOXY-D-GLUCOSAMINEA1QJQ0.7
GCN3-DEOXY-D-GLUCOSAMINEA1QFF0.7
MSN(1R,2R,3R,4S,5R)-4-AMINO-5-(METHYLTHIO)CYCLOPENTANE-
1,2,3-TRIOL
A2F7O0.74
MSN(1R,2R,3R,4S,5R)-4-AMINO-5-(METHYLTHIO)CYCLOPENTANE-
1,2,3-TRIOL
A3DX00.74
DIG2,5-DIDEOXY-2,5-IMINO-D-GLUCITOLA,B1DID0.74
MZB(1R,2R,3R,4S,5R)-4-amino-5-[(R)-
methylsulfinyl]cyclopentane-1,2,3-
triol
A3DX20.72
LKA5-THIO-A/B-D-MANNOPYRANOSYLAMINEA1R330.71
NOY(2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-
2,3,4-TRIOL
A,B2J750.73
NOY(2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-
2,3,4-TRIOL
A2V3G0.73
NOY(2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-
2,3,4-TRIOL
A,B2VQU0.73
TSI(2S,3R)-1-AMINO-2-METHYLBUTANE-
2,3-DIOL
A1E9W0.7
TSI(2S,3R)-1-AMINO-2-METHYLBUTANE-
2,3-DIOL
B1OLN0.7
TSI(2S,3R)-1-AMINO-2-METHYLBUTANE-
2,3-DIOL
C2JQ70.7
MNM(2S,3S,4R,5R)-2,3,4-TRIHYDROXY-
5-HYDROXYMETHYL-PIPERIDINE
A2ALW0.73
1GN2-DEOXY-2-AMINOGALACTOSEA,B3GAL0.7
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA1UP20.74
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA,B,C,D3GXF0.74
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA1OCN0.74
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA,B,C,D2NSX0.74
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA,B1OIF0.74
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA1OCQ0.74
IFM5-HYDROXYMETHYL-3,4-DIHYDROXYPIPERIDINEA2G9V0.74
DQQ2,5-DIDEOXY-2,5-IMINO-D-MANNITOLA2AEY0.74
NOJ1-DEOXYNOJIRIMYCINA,B1OIM0.72
NOJ1-DEOXYNOJIRIMYCINA,B2J770.72
NOJ1-DEOXYNOJIRIMYCINA,B2JKE0.72
NOJ1-DEOXYNOJIRIMYCINA3GBE0.72
NOJ1-DEOXYNOJIRIMYCINA,B3GXT0.72
NOJ1-DEOXYNOJIRIMYCINA,B1DIE0.72
NOJ1-DEOXYNOJIRIMYCINA1DOG0.72
NOJ1-DEOXYNOJIRIMYCINA,B1I750.72
NOJ1-DEOXYNOJIRIMYCINA,B2PWD0.72
DMJ1-DEOXYMANNOJIRIMYCINA,B1KRE0.72
DMJ1-DEOXYMANNOJIRIMYCINA1FO20.72
DMJ1-DEOXYMANNOJIRIMYCINA1G6I0.72
DMJ1-DEOXYMANNOJIRIMYCINA1HXK0.72
AZFAZAFAGOMINEA,B2J7H0.75
AOL(1R,2R,3S,4S,5R)-5-AMINOCYCLOPENTANE-
1,2,3,4-TETROL
A2F7Q0.9