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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02455234

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		A2J8G0.74
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE		A2J8F0.74
AH02-(2-ACETYLAMINO-4-HYDROXY-6,8-
DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-
PROPIONIC ACID		A1QTE0.74
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE		A1RWG0.72
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE		A1HM20.72
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE		A1RWF0.72
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE		A1OFL0.72
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE		A3C9E0.72
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE		A2C4S0.72
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE		A1C4S0.72
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE		A1OFM0.72
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE		A1OJO0.72
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE		A1HMW0.72
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE		A1DQO0.72
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE		A1HMU0.72
ASG2-DEOXY-2-ACETAMIDO-BETA-D-GALACTOSE-
4-SULFATE		A1RWH0.72
CBSDI(N-ACETYL-D-GLUCOSAMINE)A1LJN0.79
CBSDI(N-ACETYL-D-GLUCOSAMINE)A1ZU00.79
CBSDI(N-ACETYL-D-GLUCOSAMINE)A2HRH0.79
CBSDI(N-ACETYL-D-GLUCOSAMINE)A,B1TW50.79
CBSDI(N-ACETYL-D-GLUCOSAMINE)A,H2HRG0.79
CBSDI(N-ACETYL-D-GLUCOSAMINE)12BS70.79
CBSDI(N-ACETYL-D-GLUCOSAMINE)A1C7T0.79
CBSDI(N-ACETYL-D-GLUCOSAMINE)A,B2QT60.79
CBSDI(N-ACETYL-D-GLUCOSAMINE)A1QBB0.79
CBSDI(N-ACETYL-D-GLUCOSAMINE)A1C7S0.79
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2E510.74
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1D0H0.74
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1JOT0.74
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1LLP0.74
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEX,Y2EAL0.74
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1LU20.74
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,E,F2J3F0.74
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1LU10.74
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSED,E,F,G,H,I,
J,K,L,M		3EFX0.74
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2VMC0.74
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2W7Y0.74
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1FNZ0.74
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2W1U0.74
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEF2JHI0.74
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,C,E,G1M260.74
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2DTY0.74
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2J1U0.74
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2CCV0.74
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2A2D0.74
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2AYS0.74
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2ZUT0.74
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1KYJ0.74
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2VNG0.74
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B2Z480.74
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSE1,2,31BCH0.74
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2K330.74
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA2IXB0.74
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1ULF0.74
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B1JLX0.74
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA1AX00.74
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA3CA30.74
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D1WMZ0.74
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA3CA60.74
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSED,E,G,H1LTI0.74
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEA,B,C,D2E7T0.74
A2GN-ACETYL-2-DEOXY-2-AMINO-GALACTOSEN,O,P,Q,R,S,
T,U,V,W		2O2L0.74
AMUBETA-N-ACETYLMURAMIC ACIDA,B,C,D2APH0.72
AMUBETA-N-ACETYLMURAMIC ACIDA,P1TWQ0.72
AMUBETA-N-ACETYLMURAMIC ACIDA1D0K0.72
AMUBETA-N-ACETYLMURAMIC ACIDS9LYZ0.72
AMUBETA-N-ACETYLMURAMIC ACIDE,S148L0.72
AMUBETA-N-ACETYLMURAMIC ACIDD,K3CYQ0.72
AMUBETA-N-ACETYLMURAMIC ACIDU2AIZ0.72
AKN(2R)-4-AMINO-N-{(1R,2S,3S,4R,5S)-
5-AMINO-2-[(3-AMINO-3-DEOXY-ALPHA-
D-GLUCOPYRANOSYL)OXY]-4-[(6-AMINO-
6-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-
3-HYDROXYCYCLOHEXYL}-2-HYDROXYBUTANAMIDE		A,B2G5Q0.72
5DP5-(2,5-dioxopyrrolidin-1-yl)-N-
[2-(2-{2-[(4-O-alpha-D-idopyranosyl-
alpha-D-mannopyranosyl)oxy]ethoxy}ethoxy)ethyl]pentanamide		A,B,C,D3CIU0.7
BGNN-BUTANOYL-2-AMINO-2-DEOXY-GLUCOPYRANOSIDEA,B,C,D1NWG0.74
AB6(2R)-4-AMINO-N-((1R,2S,3R,4R,5S)-
5-AMINO-4-[(2-AMINO-2-DEOXY-ALPHA-
D-GLUCOPYRANOSYL)OXY]-2-{2-[(3-
AMINOPROPYL)AMINO]ETHOXY}-3-HYDROXYCYCLOHEXYL)-
2-HYDROXYBUTANAMIDE		B2F4U0.74
CR11-DEOXY-1-METHOXYCARBAMIDO-BETA-
D-GLUCOPYRANOSE		A1FU70.71
C4B1-beta-D-glucopyranosyl-1,3,5-triazinane-
2,4,6-trione		A3BDA0.71
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,D1ZZ50.76
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B,D1I1D0.72
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B2DKC0.72
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B,C,D,E,F1NE70.72
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B1FS50.72
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B2O280.72
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B1FRZ0.72
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA,B1HOT0.72
16GN-ACETYL-D-GLUCOSAMINE-6-PHOSPHATEA2VXK0.72
9MR(3R,4R,5R)-3-HYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
4-YL BETA-D-GLUCOPYRANOSIDE		A3CUF0.71
9MR(3R,4R,5R)-3-HYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
4-YL BETA-D-GLUCOPYRANOSIDE		A,B2OYK0.71
AZCA1KTI0.74
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL		A,B1NAA0.71
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL		A2AXR0.71
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
AS52-(acetylamino)-4-O-[2-(acetylamino)-
2-deoxy-alpha-L-gulopyranosyl]-
1,5-anhydro-2-deoxy-D-mannitol		A,B2VLC0.79
BM32-(ACETYLAMINO)-2-DEOXY-ALPHA-D-
MANNOPYRANOSE		A,B,C,D,E,F2J0G0.74
BM32-(ACETYLAMINO)-2-DEOXY-ALPHA-D-
MANNOPYRANOSE		A,B,C2ORJ0.74