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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03416736

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NEB2-DEOXY-D-STREPTAMINEA1NEM0.81
NOZ(2S,3S,4R,5R)-5-(hydroxymethyl)piperidine-
2,3,4-triol
A,B2VL40.7
MMN5-DEOXY-5-{[(1S)-1-HYDROXYETHYL]AMINO}-
D-GLUCITOL
A1XUZ0.7
PA2PAROMOMYCIN (RING 2)B1O9M0.76
PA2PAROMOMYCIN (RING 2)A1PBR0.76
TOB1,3-DIAMINO-5,6-DIHYDROXYCYCLOHEXANEA1TOB0.75
M6R5-AMINO-5-DEOXY-1-O-PHOSPHONO-D-
MANNITOL
A,B,C,D2PUV0.74
CYY2-DEOXYSTREPTAMINEA1QD30.81
CAV5-AMINO-6-CYCLOHEXYL-3,4-DIHYDROXY-
2-ISOPROPYL-HEXANOIC ACID
A,B,I1HIV0.7
CAV5-AMINO-6-CYCLOHEXYL-3,4-DIHYDROXY-
2-ISOPROPYL-HEXANOIC ACID
I1IVP0.7
YHO(1S,2S,3R,4R)-4-aminocyclopentane-
1,2,3-triol
A3DX10.73
AOL(1R,2R,3S,4S,5R)-5-AMINOCYCLOPENTANE-
1,2,3,4-TETROL
A2F7Q0.74
GCSD-GLUCOSAMINEA3CO40.73
GCSD-GLUCOSAMINEA1QGI0.73
GCSD-GLUCOSAMINEA,B2VZS0.73
GCSD-GLUCOSAMINEA1E9L0.73
GCSD-GLUCOSAMINEA,B,C,D3FXI0.73
GCSD-GLUCOSAMINEA,B2VZV0.73
PA1PAROMOMYCIN (RING 1)A1PBR0.73
PA1PAROMOMYCIN (RING 1)A1QKC0.73
PA1PAROMOMYCIN (RING 1)A1QFG0.73
PA1PAROMOMYCIN (RING 1)A1FI10.73
PA1PAROMOMYCIN (RING 1)A,B,C,D3FXI0.73
PA1PAROMOMYCIN (RING 1)A1QFF0.73
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
MNM(2S,3S,4R,5R)-2,3,4-TRIHYDROXY-
5-HYDROXYMETHYL-PIPERIDINE
A2ALW0.7
CGBCALYSTEGINE B2A,B2CBV0.72
NOY(2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-
2,3,4-TRIOL
A,B2J750.7
NOY(2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-
2,3,4-TRIOL
A2V3G0.7
NOY(2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-
2,3,4-TRIOL
A,B2VQU0.7
YTB(1R,2R,3S,4R,5R)-5-aminocyclopentane-
1,2,3,4-tetrol
A3DX30.74
CHA1-HYDROXY-2-AMINO-3-CYCLOHEXYLPROPANEA,B1HRN0.71
CHA1-HYDROXY-2-AMINO-3-CYCLOHEXYLPROPANEA1EAG0.71
CHA1-HYDROXY-2-AMINO-3-CYCLOHEXYLPROPANEA,B1BIM0.71
CHA1-HYDROXY-2-AMINO-3-CYCLOHEXYLPROPANEA,B1BIL0.71
1GN2-DEOXY-2-AMINOGALACTOSEA,B3GAL0.73
CGFC-(1-AZIDO-ALPHA-D-GLUCOPYRANOSYL) FORMAMIDEA1P4G0.72
GCN3-DEOXY-D-GLUCOSAMINEA1FI10.73
GCN3-DEOXY-D-GLUCOSAMINEA1QFG0.73
GCN3-DEOXY-D-GLUCOSAMINEA1QKC0.73
GCN3-DEOXY-D-GLUCOSAMINEA,B2GRX0.73
GCN3-DEOXY-D-GLUCOSAMINEA1QJQ0.73
GCN3-DEOXY-D-GLUCOSAMINEA1QFF0.73
2TB1,3-DIAMINO-4,5,6-TRIHYDROXY-CYCLOHEXANEA2TOB0.79
YLL(1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-
1,2,3,4,5-PENTOL
A,B2JAL0.7
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
XAOCYCLOHEXYLMETHYL-2,3-DIHYDROXY-
5-METHYL-HEXYLAMIDE
A1FQ60.8
XAOCYCLOHEXYLMETHYL-2,3-DIHYDROXY-
5-METHYL-HEXYLAMIDE
I,J1PSA0.8
XAOCYCLOHEXYLMETHYL-2,3-DIHYDROXY-
5-METHYL-HEXYLAMIDE
E,I1EPQ0.8