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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02126018

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
B6D2,4-bis(acetylamino)-2,4,6-trideoxy-
beta-D-glucopyranose
A2K330.7
B6D2,4-bis(acetylamino)-2,4,6-trideoxy-
beta-D-glucopyranose
A,B3FIR0.7
CTSCASTANOSPERMINEA1EQC0.74
CTSCASTANOSPERMINEA,B2JKP0.74
CTSCASTANOSPERMINEA,B,C2VL80.74
CTSCASTANOSPERMINEA,B2CBU0.74
CTSCASTANOSPERMINEA,B2PWG0.74
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL
A,B1NAA0.74
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL
A2AXR0.74
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2E510.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1D0H0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1JOT0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1LLP0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEX,Y2EAL0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1LU20.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,E,F2J3F0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1LU10.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSED,E,F,G,H,I,
J,K,L,M
3EFX0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2VMC0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2W7Y0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1FNZ0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2W1U0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEF2JHI0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,C,E,G1M260.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2DTY0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2J1U0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2CCV0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2A2D0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2AYS0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2ZUT0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1KYJ0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2VNG0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2Z480.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSE1,2,31BCH0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2K330.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2IXB0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1ULF0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1JLX0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1AX00.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA3CA30.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D1WMZ0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA3CA60.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSED,E,G,H1LTI0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2E7T0.72
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEN,O,P,Q,R,S,
T,U,V,W
2O2L0.72
CGBCALYSTEGINE B2A,B2CBV0.81
2TB1,3-DIAMINO-4,5,6-TRIHYDROXY-CYCLOHEXANEA2TOB0.74
CR11-DEOXY-1-METHOXYCARBAMIDO-BETA-
D-GLUCOPYRANOSE
A1FU70.73
17B(2Z,3R,4S,5R,6R)-2-[(4-aminobutyl)imino]-
6-(hydroxymethyl)piperidine-3,4,5-
triol
A,B2VR40.78
9MR(3R,4R,5R)-3-HYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
4-YL BETA-D-GLUCOPYRANOSIDE
A3CUF0.7
9MR(3R,4R,5R)-3-HYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
4-YL BETA-D-GLUCOPYRANOSIDE
A,B2OYK0.7
15A(2Z,3R,4S,5R,6R)-2-[(2-aminoethyl)imino]-
6-(hydroxymethyl)piperidine-3,4,5-
triol
A,B2VQT0.77
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A2JCQ0.74
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A,B2IH90.74
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A,B,C,D,E,F2J2P0.74
5AX2-(ACETYLAMINO)-1,5-ANHYDRO-2-DEOXY-
D-GLUCITOL
A3DIV0.74
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA,B,C,D,E,F1NE70.71
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA2ZJ40.71
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA1MOS0.71
AGP2-DEOXY-2-AMINO GLUCITOL-6-PHOSPHATEA,B1HOR0.71
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7Y0.72
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7X0.72
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R810.72
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R7V0.72
AIG4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-
TETRAHYDRO-PYRAN-3,5-DIOL
A1R800.72
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1CPU0.72
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1NM90.72
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1MFV0.72
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1PIG0.72
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEX1Z320.72
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1MFU0.72
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA3BLK0.72
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEX3BLP0.72
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA3DHP0.72
AOL(1R,2R,3S,4S,5R)-5-AMINOCYCLOPENTANE-
1,2,3,4-TETROL
A2F7Q0.71
BM32-(ACETYLAMINO)-2-DEOXY-ALPHA-D-
MANNOPYRANOSE
A,B,C,D,E,F2J0G0.72
BM32-(ACETYLAMINO)-2-DEOXY-ALPHA-D-
MANNOPYRANOSE
A,B,C2ORJ0.72
1AB1,4-DIDEOXY-1,4-IMINO-D-ARABINITOLA2G9Q0.75
BGNN-BUTANOYL-2-AMINO-2-DEOXY-GLUCOPYRANOSIDEA,B,C,D1NWG0.72
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
A1QD30.71
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
B1O9M0.71
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE
A1NEM0.71
1GN2-DEOXY-2-AMINOGALACTOSEA,B3GAL0.7