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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03201986

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE
A2J8G0.73
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE
A2J8F0.73
AMN9-DEOXY-9-AMINO-2-O-METHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID
A,B,C,D,E,F1HGJ0.7
CBSDI(N-ACETYL-D-GLUCOSAMINE)A1LJN0.71
CBSDI(N-ACETYL-D-GLUCOSAMINE)A1ZU00.71
CBSDI(N-ACETYL-D-GLUCOSAMINE)A2HRH0.71
CBSDI(N-ACETYL-D-GLUCOSAMINE)A,B1TW50.71
CBSDI(N-ACETYL-D-GLUCOSAMINE)A,H2HRG0.71
CBSDI(N-ACETYL-D-GLUCOSAMINE)12BS70.71
CBSDI(N-ACETYL-D-GLUCOSAMINE)A1C7T0.71
CBSDI(N-ACETYL-D-GLUCOSAMINE)A,B2QT60.71
CBSDI(N-ACETYL-D-GLUCOSAMINE)A1QBB0.71
CBSDI(N-ACETYL-D-GLUCOSAMINE)A1C7S0.71
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
A1QD30.78
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
B1O9M0.78
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
A1NEM0.78
AGHN-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-
2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE
A1ZT40.72
AGHN-{(1S,2R,3S)-1-[(ALPHA-D-GALACTOPYRANOSYLOXY)METHYL]-
2,3-DIHYDROXYHEPTADECYL}HEXACOSANAMIDE
A,C,E2PO60.72
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL
A,B1NAA0.72
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL
A2AXR0.72
ERNA2O430.71
BGNN-BUTANOYL-2-AMINO-2-DEOXY-GLUCOPYRANOSIDEA,B,C,D1NWG0.71
9CS(1R,2S,3S,4R,6S)-4,6-DIAMINO-3-
[(3-AMINO-3-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-
2-HYDROXYCYCLOHEXYL 2,6-DIAMINO-
2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSIDE
A2QIR0.74
EAG2-aminoethyl 2-(acetylamino)-2-
deoxy-beta-D-glucopyranoside
B,D,E,F,H3BZ40.72
AOG4-AMINO-2-OCTYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R820.75
1GN2-DEOXY-2-AMINOGALACTOSEA,B3GAL0.74
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7Y0.78
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7X0.78
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R810.78
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7V0.78
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R800.78
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
AMUBETA-N-ACETYLMURAMIC ACIDA,B,C,D2APH0.71
AMUBETA-N-ACETYLMURAMIC ACIDA,P1TWQ0.71
AMUBETA-N-ACETYLMURAMIC ACIDA1D0K0.71
AMUBETA-N-ACETYLMURAMIC ACIDS9LYZ0.71
AMUBETA-N-ACETYLMURAMIC ACIDE,S148L0.71
AMUBETA-N-ACETYLMURAMIC ACIDD,K3CYQ0.71
AMUBETA-N-ACETYLMURAMIC ACIDU2AIZ0.71
AD7octyl 3-amino-3-deoxy-2-O-(2,6-
dideoxy-alpha-L-lyxo-hexopyranosyl)-
beta-D-galactopyranoside
A2RJ90.74
AD7octyl 3-amino-3-deoxy-2-O-(2,6-
dideoxy-alpha-L-lyxo-hexopyranosyl)-
beta-D-galactopyranoside
A2RJ40.74
AR42-AMINO-5-(3-FLUORO-3,4-DIHYDROXY-
5-HYDROXYMETHYL-TETRAHYDRO-FURAN-
2-YLOXY)-5-HYDROXY-PENTANOIC ACID
A,B,C1S2D0.82
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
FSMFORSMANN ANTIGENA2CGY0.71
AS52-(acetylamino)-4-O-[2-(acetylamino)-
2-deoxy-alpha-L-gulopyranosyl]-
1,5-anhydro-2-deoxy-D-mannitol
A,B2VLC0.71