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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03923102

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
JS4A,B2BEE0.73
NLC2-(ACETYLAMINO)-2-DEOXY-4-O-BETA-
D-GALACTOPYRANOSYL-ALPHA-D-GLUCOPYRANOSE		A,B2VS40.74
NLC2-(ACETYLAMINO)-2-DEOXY-4-O-BETA-
D-GALACTOPYRANOSYL-ALPHA-D-GLUCOPYRANOSE		A1W3G0.74
NLC2-(ACETYLAMINO)-2-DEOXY-4-O-BETA-
D-GALACTOPYRANOSYL-ALPHA-D-GLUCOPYRANOSE		A,B3EHN0.74
NLC2-(ACETYLAMINO)-2-DEOXY-4-O-BETA-
D-GALACTOPYRANOSYL-ALPHA-D-GLUCOPYRANOSE		A1W3F0.74
NLC2-(ACETYLAMINO)-2-DEOXY-4-O-BETA-
D-GALACTOPYRANOSYL-ALPHA-D-GLUCOPYRANOSE		A1ZJ10.74
NLC2-(ACETYLAMINO)-2-DEOXY-4-O-BETA-
D-GALACTOPYRANOSYL-ALPHA-D-GLUCOPYRANOSE		A2YY10.74
NLC2-(ACETYLAMINO)-2-DEOXY-4-O-BETA-
D-GALACTOPYRANOSYL-ALPHA-D-GLUCOPYRANOSE		A1ZI30.74
NLC2-(ACETYLAMINO)-2-DEOXY-4-O-BETA-
D-GALACTOPYRANOSYL-ALPHA-D-GLUCOPYRANOSE		A,B2VS30.74
SCMSPECTINOMYCINA,D,H,N1FJG0.7
SCMSPECTINOMYCINA2QOY0.7
SCMSPECTINOMYCINA2QOU0.7
SCMSPECTINOMYCINA,E2QOW0.7
SCMSPECTINOMYCINA2QP00.7
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
HYGHYGROMYCIN BA,E,N3DF10.72
HYGHYGROMYCIN BA,E3DF30.72
HYGHYGROMYCIN BA,D,H,N1HNZ0.72
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA1M7D0.73
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA1LED0.73
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA1GSL0.73
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA1FWU0.73
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA,B,C,D1G1R0.73
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA1FWV0.73
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA1G1T0.73
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINE1,2,33KMB0.73
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINE1,2,32KMB0.73
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA,B1ZPL0.73
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINE1,2,34KMB0.73
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA,H1UZ80.73
DR36-DEOXY-ALPHA-L-GLUCOPYRANOSYL-
(1->2)-BETA-D-GULOPYRANOSYL-(1-
>3)-2-DEOXY-2-[(1-HYDROXYETHYL)AMINO]-
ALPHA-L-TALOPYRANOSE		A1ZJ20.73
DR36-DEOXY-ALPHA-L-GLUCOPYRANOSYL-
(1->2)-BETA-D-GULOPYRANOSYL-(1-
>3)-2-DEOXY-2-[(1-HYDROXYETHYL)AMINO]-
ALPHA-L-TALOPYRANOSE		A1ZI50.73
CTOTRIACETYLCHITOTRIOSEA,B1BB50.73
CTOTRIACETYLCHITOTRIOSEB2H5Z0.73
CTOTRIACETYLCHITOTRIOSEA,B,C,D2R0H0.73
CTOTRIACETYLCHITOTRIOSEA,B,C2AH90.73
MGCALPHA-METHYL-N-ACETYL-D-GALACTOSAMINEA,C,E,G1UH10.73
MGCALPHA-METHYL-N-ACETYL-D-GALACTOSAMINEA,B,C,D2DU10.73
MGCALPHA-METHYL-N-ACETYL-D-GALACTOSAMINEA,C,E,G1UH00.73
MGCALPHA-METHYL-N-ACETYL-D-GALACTOSAMINEA,B,C,D2DVA0.73
MGCALPHA-METHYL-N-ACETYL-D-GALACTOSAMINEA1UGX0.73
LLL(2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-
4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-
6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-
2-YLOXY)-2-HYDROXYCYCLOHEXYLOXY)-
5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-
2H-PYRAN-3,5-DIOL		4,B2QBK0.71
LLL(2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-
4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-
6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-
2-YLOXY)-2-HYDROXYCYCLOHEXYLOXY)-
5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-
2H-PYRAN-3,5-DIOL		A2QBH0.71
LLL(2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-
4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-
6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-
2-YLOXY)-2-HYDROXYCYCLOHEXYLOXY)-
5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-
2H-PYRAN-3,5-DIOL		4,B2QBI0.71
LLL(2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-
4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-
6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-
2-YLOXY)-2-HYDROXYCYCLOHEXYLOXY)-
5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-
2H-PYRAN-3,5-DIOL		A,B2ET30.71
LLL(2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-
4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-
6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-
2-YLOXY)-2-HYDROXYCYCLOHEXYLOXY)-
5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-
2H-PYRAN-3,5-DIOL		A,E2QBJ0.71
LLL(2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-
4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-
6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-
2-YLOXY)-2-HYDROXYCYCLOHEXYLOXY)-
5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-
2H-PYRAN-3,5-DIOL		A2QB90.71
LLL(2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-
4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-
6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-
2-YLOXY)-2-HYDROXYCYCLOHEXYLOXY)-
5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-
2H-PYRAN-3,5-DIOL		4,B2QBC0.71
LLL(2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-
4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-
6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-
2-YLOXY)-2-HYDROXYCYCLOHEXYLOXY)-
5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-
2H-PYRAN-3,5-DIOL		4,B2QBA0.71
LLL(2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-
4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-
6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-
2-YLOXY)-2-HYDROXYCYCLOHEXYLOXY)-
5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-
2H-PYRAN-3,5-DIOL		A,N2QBB0.71
MA8(2S,3R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXYL 2-
(L-CYSTEINYLAMINO)-2-DEOXY-ALPHA-
L-GLUCOPYRANOSIDE		A2C270.72
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
B31(2S)-4-amino-N-[(1R,2S,3R,4R,5S)-
5-amino-4-[(2,6-diamino-2,6-dideoxy-
alpha-D-glucopyranosyl)oxy]-2-hydroxy-
3-(beta-D-xylofuranosyloxy)cyclohexyl]-
2-hydroxybutanamide		A3H8P0.71
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,D1ZZ50.74
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL		A,B1NAA0.72
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL		A2AXR0.72
TNRO-(2-ACETAMIDO-2-DEOXY-ALPHA-D-
GALACTOPYRANOSYL)-L-SERINE		A,B,C,D1N470.74
TNRO-(2-ACETAMIDO-2-DEOXY-ALPHA-D-
GALACTOPYRANOSYL)-L-SERINE		A2CGZ0.74
TNRO-(2-ACETAMIDO-2-DEOXY-ALPHA-D-
GALACTOPYRANOSYL)-L-SERINE		A,B,C,D2D3S0.74
TNRO-(2-ACETAMIDO-2-DEOXY-ALPHA-D-
GALACTOPYRANOSYL)-L-SERINE		A2D7R0.74
GTH3-O-GLUCOPYRANOSYL-THREONINE-[2-
DEOXY-2-ACETAMIDO-GLUCOPYRANOSIDE]		A1WCT0.74
GYUGLYCOSYLURETHANA,B2UWG0.73
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		B2F4U0.73
KSG(1S,2R,3S,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXYL 2-
AMINO-4-{[CARBOXY(IMINO)METHYL]AMINO}-
2,3,4,6-TETRADEOXY-ALPHA-D-ARABINO-
HEXOPYRANOSIDE		A1VS70.71
KSG(1S,2R,3S,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXYL 2-
AMINO-4-{[CARBOXY(IMINO)METHYL]AMINO}-
2,3,4,6-TETRADEOXY-ALPHA-D-ARABINO-
HEXOPYRANOSIDE		A2HHH0.71
KSG(1S,2R,3S,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXYL 2-
AMINO-4-{[CARBOXY(IMINO)METHYL]AMINO}-
2,3,4,6-TETRADEOXY-ALPHA-D-ARABINO-
HEXOPYRANOSIDE		A1VS50.71
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,Z2F4V0.75
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		B2F4T0.75
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,B2G5Q0.71
DR26-DEOXY-ALPHA-L-IDOPYRANOSYL-(1-
>2)-ALPHA-D-GLUCOPYRANOSYL-(1->4)-
2-(ACETYLAMINO)-2-DEOXY-BETA-L-
GULOPYRANOSE		A3E6J0.73
DR26-DEOXY-ALPHA-L-IDOPYRANOSYL-(1-
>2)-ALPHA-D-GLUCOPYRANOSYL-(1->4)-
2-(ACETYLAMINO)-2-DEOXY-BETA-L-
GULOPYRANOSE		A1ZJ30.73
DR26-DEOXY-ALPHA-L-IDOPYRANOSYL-(1-
>2)-ALPHA-D-GLUCOPYRANOSYL-(1->4)-
2-(ACETYLAMINO)-2-DEOXY-BETA-L-
GULOPYRANOSE		A1ZI40.73
AMUBETA-N-ACETYLMURAMIC ACIDA,B,C,D2APH0.71
AMUBETA-N-ACETYLMURAMIC ACIDA,P1TWQ0.71
AMUBETA-N-ACETYLMURAMIC ACIDA1D0K0.71
AMUBETA-N-ACETYLMURAMIC ACIDS9LYZ0.71
AMUBETA-N-ACETYLMURAMIC ACIDE,S148L0.71
AMUBETA-N-ACETYLMURAMIC ACIDD,K3CYQ0.71
AMUBETA-N-ACETYLMURAMIC ACIDU2AIZ0.71
EAG2-aminoethyl 2-(acetylamino)-2-
deoxy-beta-D-glucopyranoside		B,D,E,F,H3BZ40.74
GETGENETICINA1MWL0.71
GETGENETICINA,B,C,D1NJJ0.71
NA1METHYL N-ACETYL ALLOSAMINEA1HKJ0.71
NA1METHYL N-ACETYL ALLOSAMINEA,B3FY10.71
NA1METHYL N-ACETYL ALLOSAMINEA1HKI0.71
FSMFORSMANN ANTIGENA2CGY0.76
MUBN-ACETYLMURAMIC ACIDL,N1WCO0.71
GYTBIS-(2-ACETAMIDO-2-DEOXY-ALPHA-
D-GLUCOPYRANOSYLOXYCARBONYL)-4,7,10-
TRIOXA-1,13-TRIDECANEDIAMINE		A,B2UWZ0.74
AS52-(acetylamino)-4-O-[2-(acetylamino)-
2-deoxy-alpha-L-gulopyranosyl]-
1,5-anhydro-2-deoxy-D-mannitol		A,B2VLC0.76