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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03819623

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
8GPA2F3U0.82
4GPN-(BETA-D-GLUCOPYRANOSYL)OXAMIC ACIDA2F3P0.72
AMUBETA-N-ACETYLMURAMIC ACIDA,B,C,D2APH0.75
AMUBETA-N-ACETYLMURAMIC ACIDA,P1TWQ0.75
AMUBETA-N-ACETYLMURAMIC ACIDA1D0K0.75
AMUBETA-N-ACETYLMURAMIC ACIDS9LYZ0.75
AMUBETA-N-ACETYLMURAMIC ACIDE,S148L0.75
AMUBETA-N-ACETYLMURAMIC ACIDD,K3CYQ0.75
AMUBETA-N-ACETYLMURAMIC ACIDU2AIZ0.75
AZCA1KTI0.76
7GPETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATEA2F3S0.72
BGNN-BUTANOYL-2-AMINO-2-DEOXY-GLUCOPYRANOSIDEA,B,C,D1NWG0.8
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
AS52-(acetylamino)-4-O-[2-(acetylamino)-
2-deoxy-alpha-L-gulopyranosyl]-
1,5-anhydro-2-deoxy-D-mannitol
A,B2VLC0.77
BEUN-[(1S,2R,5R,6R)-2-AMINO-5,6-DIHYDROXY-
4-(HYDROXYMETHYL)CYCLOHEX-3-EN-
1-YL]ACETAMIDE
A,B2JIW0.75
15A(2Z,3R,4S,5R,6R)-2-[(2-aminoethyl)imino]-
6-(hydroxymethyl)piperidine-3,4,5-
triol
A,B2VQT0.7
6GPMETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATEA2F3Q0.71
B6D2,4-bis(acetylamino)-2,4,6-trideoxy-
beta-D-glucopyranose
A2K330.74
B6D2,4-bis(acetylamino)-2,4,6-trideoxy-
beta-D-glucopyranose
A,B3FIR0.74
233[5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-2-YLCARBAMOYL)-
PENTYL]-CARBAMIC ACID METHYL ESTER
D,E,F,G,H1MD20.76
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A2JCQ0.88
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A,B2IH90.88
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A,B,C,D,E,F2J2P0.88
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A3DIV0.88
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1RWG0.76
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1HM20.76
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1RWF0.76
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1OFL0.76
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A3C9E0.76
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A2C4S0.76
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1C4S0.76
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1OFM0.76
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1OJO0.76
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1HMW0.76
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1DQO0.76
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1HMU0.76
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE
A1RWH0.76
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B,D1I1D0.75
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B2DKC0.75
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B,C,D,E,F1NE70.75
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B1FS50.75
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B2O280.75
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B1FRZ0.75
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B1HOT0.75
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA2VXK0.75
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2E510.8
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1D0H0.8
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1JOT0.8
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1LLP0.8
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEX,Y2EAL0.8
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1LU20.8
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,E,F2J3F0.8
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1LU10.8
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSED,E,F,G,H,I,
J,K,L,M
3EFX0.8
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2VMC0.8
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2W7Y0.8
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1FNZ0.8
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2W1U0.8
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEF2JHI0.8
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,C,E,G1M260.8
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2DTY0.8
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2J1U0.8
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2CCV0.8
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2A2D0.8
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2AYS0.8
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2ZUT0.8
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1KYJ0.8
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2VNG0.8
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2Z480.8
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSE1,2,31BCH0.8
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2K330.8
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2IXB0.8
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1ULF0.8
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1JLX0.8
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1AX00.8
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA3CA30.8
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D1WMZ0.8
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA3CA60.8
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSED,E,G,H1LTI0.8
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2E7T0.8
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEN,O,P,Q,R,S,
T,U,V,W
2O2L0.8
AB9(2R)-4-AMINO-N-{(1R,2S,3R,4R,5S)-
5-AMINO-2-{2-[(2-AMINOETHYL)AMINO]ETHOXY}-
4-[(2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSYL)OXY]-3-HYDROXYCYCLOHEXYL}-
2-HYDROXYBUTANAMIDE
A,D,M,N,Z2F4V0.72
AB9(2R)-4-AMINO-N-{(1R,2S,3R,4R,5S)-
5-AMINO-2-{2-[(2-AMINOETHYL)AMINO]ETHOXY}-
4-[(2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSYL)OXY]-3-HYDROXYCYCLOHEXYL}-
2-HYDROXYBUTANAMIDE
B2F4T0.72
AH02-(2-ACETYLAMINO-4-HYDROXY-6,8-
DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-
PROPIONIC ACID
A1QTE0.71
AXP4-ACETAMIDO-2,4-DIDEXOY-D-GLYCERO-
BETA-D-GALACTO-OCTOPYRANOSYLPHOSPHONIC ACID (AN AXIAL PHOSPHONATE)
A1INW0.76
AXP4-ACETAMIDO-2,4-DIDEXOY-D-GLYCERO-
BETA-D-GALACTO-OCTOPYRANOSYLPHOSPHONIC ACID (AN AXIAL PHOSPHONATE)
A1DIL0.76