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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03078822

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1CPU0.87
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1NM90.87
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1MFV0.87
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1PIG0.87
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEX1Z320.87
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1MFU0.87
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA3BLK0.87
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEX3BLP0.87
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA3DHP0.87
CNY13,15-DIAMINO-2-(AMINOMETHYL)-3,4,9,12-
TETRAHYDROXYHEXADECAHYDRO-2H-7,10-
EPOXYPYRANO[2,3-B][1,10,4]BENZODIOXAZACYCLODODECIN-
8-YL 2,6-DIAMINO-2,6-DIDEOXYHEXOPYRANOSIDE
A,C,D1ZZ50.7
AD7octyl 3-amino-3-deoxy-2-O-(2,6-
dideoxy-alpha-L-lyxo-hexopyranosyl)-
beta-D-galactopyranoside
A2RJ90.76
AD7octyl 3-amino-3-deoxy-2-O-(2,6-
dideoxy-alpha-L-lyxo-hexopyranosyl)-
beta-D-galactopyranoside
A2RJ40.76
2TB1,3-DIAMINO-4,5,6-TRIHYDROXY-CYCLOHEXANEA2TOB0.7
CYY2-DEOXYSTREPTAMINEA1QD30.71
AMUBETA-N-ACETYLMURAMIC ACIDA,B,C,D2APH0.7
AMUBETA-N-ACETYLMURAMIC ACIDA,P1TWQ0.7
AMUBETA-N-ACETYLMURAMIC ACIDA1D0K0.7
AMUBETA-N-ACETYLMURAMIC ACIDS9LYZ0.7
AMUBETA-N-ACETYLMURAMIC ACIDE,S148L0.7
AMUBETA-N-ACETYLMURAMIC ACIDD,K3CYQ0.7
AMUBETA-N-ACETYLMURAMIC ACIDU2AIZ0.7
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2E510.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1D0H0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1JOT0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1LLP0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEX,Y2EAL0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1LU20.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,E,F2J3F0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1LU10.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSED,E,F,G,H,I,
J,K,L,M
3EFX0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2VMC0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2W7Y0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1FNZ0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2W1U0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEF2JHI0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,C,E,G1M260.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2DTY0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2J1U0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2CCV0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2A2D0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2AYS0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2ZUT0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1KYJ0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2VNG0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2Z480.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSE1,2,31BCH0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2K330.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2IXB0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1ULF0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1JLX0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1AX00.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA3CA30.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D1WMZ0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA3CA60.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSED,E,G,H1LTI0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2E7T0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEN,O,P,Q,R,S,
T,U,V,W
2O2L0.75
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL
A,B1NAA0.78
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL
A2AXR0.78
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7Y0.8
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7X0.8
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R810.8
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7V0.8
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R800.8
AS52-(acetylamino)-4-O-[2-(acetylamino)-
2-deoxy-alpha-L-gulopyranosyl]-
1,5-anhydro-2-deoxy-D-mannitol
A,B2VLC0.7
1GN2-DEOXY-2-AMINOGALACTOSEA,B3GAL0.92
BGNN-BUTANOYL-2-AMINO-2-DEOXY-GLUCOPYRANOSIDEA,B,C,D1NWG0.73
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1RWG0.79
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1HM20.79
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1RWF0.79
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1OFL0.79
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A3C9E0.79
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A2C4S0.79
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1C4S0.79
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1OFM0.79
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1OJO0.79
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1HMW0.79
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1DQO0.79
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1HMU0.79
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1RWH0.79
BM32-(ACETYLAMINO)-2-DEOXY-ALPHA-D-
MANNOPYRANOSE
A,B,C,D,E,F2J0G0.75
BM32-(ACETYLAMINO)-2-DEOXY-ALPHA-D-
MANNOPYRANOSE
A,B,C2ORJ0.75
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
A1QD30.88
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
B1O9M0.88
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
A1NEM0.88
CBSDI(N-ACETYL-D-GLUCOSAMINE)A1LJN0.7
CBSDI(N-ACETYL-D-GLUCOSAMINE)A1ZU00.7
CBSDI(N-ACETYL-D-GLUCOSAMINE)A2HRH0.7
CBSDI(N-ACETYL-D-GLUCOSAMINE)A,B1TW50.7
CBSDI(N-ACETYL-D-GLUCOSAMINE)A,H2HRG0.7
CBSDI(N-ACETYL-D-GLUCOSAMINE)12BS70.7
CBSDI(N-ACETYL-D-GLUCOSAMINE)A1C7T0.7
CBSDI(N-ACETYL-D-GLUCOSAMINE)A,B2QT60.7
CBSDI(N-ACETYL-D-GLUCOSAMINE)A1QBB0.7
CBSDI(N-ACETYL-D-GLUCOSAMINE)A1C7S0.7
CGFC-(1-AZIDO-ALPHA-D-GLUCOPYRANOSYL) FORMAMIDEA1P4G0.73
AOG4-AMINO-2-OCTYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R820.77
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B,D1I1D0.7
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B2DKC0.7
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B,C,D,E,F1NE70.7
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B1FS50.7
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B2O280.7
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B1FRZ0.7
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B1HOT0.7
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA2VXK0.7
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
A2QIR0.78