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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03225650

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A2JCQ0.86
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A,B2IH90.86
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A,B,C,D,E,F2J2P0.86
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A3DIV0.86
CR11-DEOXY-1-METHOXYCARBAMIDO-BETA-
D-GLUCOPYRANOSE
A1FU70.72
B6D2,4-bis(acetylamino)-2,4,6-trideoxy-
beta-D-glucopyranose
A2K330.72
B6D2,4-bis(acetylamino)-2,4,6-trideoxy-
beta-D-glucopyranose
A,B3FIR0.72
7GPETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATEA2F3S0.72
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1RWG0.77
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1HM20.77
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1RWF0.77
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1OFL0.77
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A3C9E0.77
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A2C4S0.77
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1C4S0.77
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1OFM0.77
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1OJO0.77
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1HMW0.77
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1DQO0.77
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1HMU0.77
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1RWH0.77
BM32-(ACETYLAMINO)-2-DEOXY-ALPHA-D-
MANNOPYRANOSE
A,B,C,D,E,F2J0G0.79
BM32-(ACETYLAMINO)-2-DEOXY-ALPHA-D-
MANNOPYRANOSE
A,B,C2ORJ0.79
AMUBETA-N-ACETYLMURAMIC ACIDA,B,C,D2APH0.74
AMUBETA-N-ACETYLMURAMIC ACIDA,P1TWQ0.74
AMUBETA-N-ACETYLMURAMIC ACIDA1D0K0.74
AMUBETA-N-ACETYLMURAMIC ACIDS9LYZ0.74
AMUBETA-N-ACETYLMURAMIC ACIDE,S148L0.74
AMUBETA-N-ACETYLMURAMIC ACIDD,K3CYQ0.74
AMUBETA-N-ACETYLMURAMIC ACIDU2AIZ0.74
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
AXP4-ACETAMIDO-2,4-DIDEXOY-D-GLYCERO-
BETA-D-GALACTO-OCTOPYRANOSYLPHOSPHONIC ACID (AN AXIAL PHOSPHONATE)
A1INW0.75
AXP4-ACETAMIDO-2,4-DIDEXOY-D-GLYCERO-
BETA-D-GALACTO-OCTOPYRANOSYLPHOSPHONIC ACID (AN AXIAL PHOSPHONATE)
A1DIL0.75
CBSDI(N-ACETYL-D-GLUCOSAMINE)A1LJN0.76
CBSDI(N-ACETYL-D-GLUCOSAMINE)A1ZU00.76
CBSDI(N-ACETYL-D-GLUCOSAMINE)A2HRH0.76
CBSDI(N-ACETYL-D-GLUCOSAMINE)A,B1TW50.76
CBSDI(N-ACETYL-D-GLUCOSAMINE)A,H2HRG0.76
CBSDI(N-ACETYL-D-GLUCOSAMINE)12BS70.76
CBSDI(N-ACETYL-D-GLUCOSAMINE)A1C7T0.76
CBSDI(N-ACETYL-D-GLUCOSAMINE)A,B2QT60.76
CBSDI(N-ACETYL-D-GLUCOSAMINE)A1QBB0.76
CBSDI(N-ACETYL-D-GLUCOSAMINE)A1C7S0.76
BGNN-BUTANOYL-2-AMINO-2-DEOXY-GLUCOPYRANOSIDEA,B,C,D1NWG0.79
6GPMETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATEA2F3Q0.71
233[5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-2-YLCARBAMOYL)-
PENTYL]-CARBAMIC ACID METHYL ESTER
D,E,F,G,H1MD20.74
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B,D1I1D0.74
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B2DKC0.74
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B,C,D,E,F1NE70.74
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B1FS50.74
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B2O280.74
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B1FRZ0.74
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B1HOT0.74
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA2VXK0.74
CLYCLINDAMYCIN0,1,3,9,A,B,
C,H,J,K,L,M,
N,O,Q,R,S,T,
U,Y,Z
1YJN0.71
CLYCLINDAMYCINA1JZX0.71
8GPA2F3U0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2E510.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1D0H0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1JOT0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1LLP0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEX,Y2EAL0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1LU20.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,E,F2J3F0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1LU10.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSED,E,F,G,H,I,
J,K,L,M
3EFX0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2VMC0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2W7Y0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1FNZ0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2W1U0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEF2JHI0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,C,E,G1M260.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2DTY0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2J1U0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2CCV0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2A2D0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2AYS0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2ZUT0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1KYJ0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2VNG0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2Z480.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSE1,2,31BCH0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2K330.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2IXB0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1ULF0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1JLX0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1AX00.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA3CA30.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D1WMZ0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA3CA60.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSED,E,G,H1LTI0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2E7T0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEN,O,P,Q,R,S,
T,U,V,W
2O2L0.79
AH02-(2-ACETYLAMINO-4-HYDROXY-6,8-
DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-
PROPIONIC ACID
A1QTE0.71
AS52-(acetylamino)-4-O-[2-(acetylamino)-
2-deoxy-alpha-L-gulopyranosyl]-
1,5-anhydro-2-deoxy-D-mannitol
A,B2VLC0.76
AZCA1KTI0.73