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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01727729

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RIORIBOSTAMYCINA,B1M4G0.71
RIORIBOSTAMYCINA,B3C3Z0.71
RIORIBOSTAMYCINA,B1S3Z0.71
RIORIBOSTAMYCINA,B,C,D2FCZ0.71
RIORIBOSTAMYCINA,B2ET50.71
RIORIBOSTAMYCINA,B3DVV0.71
RIORIBOSTAMYCINA2BUE0.71
IABISO-ACARBOSEA1XCX0.77
GACDIHYDRO-ACARBOSEA1GAI0.72
XXX(2R,3S,4R,5R,6R)-6-((1R,2R,3S,4R,6S)-
4,6-DIAMINO-2,3-DIHYDROXYCYCLOHEXYLOXY)-
5-AMINO-2-(AMINOMETHYL)-TETRAHYDRO-
2H-PYRAN-3,4-DIOL		B2F4S0.71
XXX(2R,3S,4R,5R,6R)-6-((1R,2R,3S,4R,6S)-
4,6-DIAMINO-2,3-DIHYDROXYCYCLOHEXYLOXY)-
5-AMINO-2-(AMINOMETHYL)-TETRAHYDRO-
2H-PYRAN-3,4-DIOL		A,B2FCX0.71
XXX(2R,3S,4R,5R,6R)-6-((1R,2R,3S,4R,6S)-
4,6-DIAMINO-2,3-DIHYDROXYCYCLOHEXYLOXY)-
5-AMINO-2-(AMINOMETHYL)-TETRAHYDRO-
2H-PYRAN-3,4-DIOL		B2ET80.71
DR36-DEOXY-ALPHA-L-GLUCOPYRANOSYL-
(1->2)-BETA-D-GULOPYRANOSYL-(1-
>3)-2-DEOXY-2-[(1-HYDROXYETHYL)AMINO]-
ALPHA-L-TALOPYRANOSE		A1ZJ20.72
DR36-DEOXY-ALPHA-L-GLUCOPYRANOSYL-
(1->2)-BETA-D-GULOPYRANOSYL-(1-
>3)-2-DEOXY-2-[(1-HYDROXYETHYL)AMINO]-
ALPHA-L-TALOPYRANOSE		A1ZI50.72
KANKANAMYCIN AA1L8T0.73
KANKANAMYCIN AA,B1M4I0.73
KANKANAMYCIN AA,B1ND40.73
KANKANAMYCIN AA,B1KNY0.73
KANKANAMYCIN AA,B2ESI0.73
HYGHYGROMYCIN BA,E,N3DF10.73
HYGHYGROMYCIN BA,E3DF30.73
HYGHYGROMYCIN BA,D,H,N1HNZ0.73
NMYNEOMYCINA2B0Q0.72
NMYNEOMYCIN4,B2QP10.72
NMYNEOMYCINA,B2ET40.72
NMYNEOMYCINA,E,N2QAN0.72
NMYNEOMYCINA,B2FCY0.72
NMYNEOMYCINA2QP00.72
NMYNEOMYCINA1I9V0.72
NMYNEOMYCINA2QAL0.72
NMYNEOMYCIN4,B2QOZ0.72
NMYNEOMYCINA,C2A040.72
NMYNEOMYCINA1EI20.72
NMYNEOMYCINA,B3C7R0.72
NMYNEOMYCIN4,B2QAM0.72
NMYNEOMYCIN4,B2QAO0.72
NMYNEOMYCINA2QOY0.72
AM2APRAMYCINB2OE80.74
AM2APRAMYCINA,B2OE50.74
AM2APRAMYCINA,B1YRJ0.74
AM2APRAMYCINA,B2G5K0.74
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,D1ZZ50.75
UCD(4S,5R,6R)-6-((2R,3R,4R,5R,6R)-
3-ACETAMIDO-2,5-DIHYDROXY-6-(HYDROXYMETHYL)-
TETRAHYDRO-2H-PYRAN-4-YLOXY)-4,5-
DIHYDROXY-5,6-DIHYDRO-4H-PYRAN-
2-CARBOXYLIC ACID		A,B2AHG0.71
UCD(4S,5R,6R)-6-((2R,3R,4R,5R,6R)-
3-ACETAMIDO-2,5-DIHYDROXY-6-(HYDROXYMETHYL)-
TETRAHYDRO-2H-PYRAN-4-YLOXY)-4,5-
DIHYDROXY-5,6-DIHYDRO-4H-PYRAN-
2-CARBOXYLIC ACID		A2D8L0.71
AF14,6-dideoxy-4-{[(1S,4S,5S,6S)-4,5,6-
trihydroxy-3-(hydroxymethyl)cyclohex-
2-en-1-yl]amino}-beta-D-glucopyranose		A1BG90.75
AAOACARBOSE DERIVED HEXASACCHARIDEA1XH00.73
A164-O-(4,6-dideoxy-4-{[(1S,2S,3S,4R,5S)-
2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-
alpha-D-glucopyranosyl)-beta-D-
glucopyranose 		A,B2VR50.74
3SAACARBOSE DERIVED TRISACCHARIDEA1XCW0.79
KNCKANAMYCIN CA1V0C0.73
ABCMODIFIED ACARBOSE HEXASACCHARIDEA7TAA0.73
QPS4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-
trihydroxy-3-(hydroxymethyl)cyclohex-
2-en-1-yl]amino}-alpha-D-glucopyranosyl-
(1->4)-alpha-D-glucopyranosyl-(1-
>4)-beta-D-glucopyranose		A,B,C2QPU0.77
ACRACARBOSEA1MXD0.77
ACRACARBOSEA,B2ZQ00.77
ACRACARBOSEA2F6D0.77
ACRACARBOSEA,X2QMJ0.77
ACRACARBOSEA2OWC0.77
ACRACARBOSEA2OWW0.77
ACRACARBOSEA1GAH0.77
ACRACARBOSEA,B1K1Y0.77
ACRACARBOSEA,B1DED0.77
ACRACARBOSEA1ESW0.77
ACRACARBOSEA1AGM0.77
ACRACARBOSEA1MXG0.77
ACRACARBOSEA,B1LF90.77
ACRACARBOSEA,B2ECP0.77
ACRACARBOSEA1KXH0.77
ACRACARBOSEA1ULV0.77
ACRACARBOSEA3BC90.77
AREACARBOSE DERIVED PENTASACCHARIDEA3BAY0.74
AREACARBOSE DERIVED PENTASACCHARIDEA1XH20.74
AREACARBOSE DERIVED PENTASACCHARIDEA1XD00.74
AREACARBOSE DERIVED PENTASACCHARIDEA3BAJ0.74
ACGMODIFIED ACARBOSE PENTASACCHARIDEA,B1LWJ0.74
QPU1,5-anhydro-4-O-(4,6-dideoxy-4-
{[(1S,2S,3S,4R,5S,6R)-2,3,4,6-tetrahydroxy-
5-methylcyclohexyl]amino}-alpha-
D-glucopyranosyl)-D-glucitol		A,B,C2QPU0.74
9CS(1R,2S,3S,4R,6S)-4,6-DIAMINO-3-
[(3-AMINO-3-DEOXY-ALPHA-D-GLUCOPYRANOSYL)OXY]-
2-HYDROXYCYCLOHEXYL 2,6-DIAMINO-
2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSIDE		A2QIR0.73
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,B2QBK0.84
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		A2QBH0.84
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,B2QBI0.84
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,B2ET30.84
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,E2QBJ0.84
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		A2QB90.84
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,B2QBC0.84
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,B2QBA0.84
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,N2QBB0.84
DAF1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-
TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE		A2GJP0.71
DAF1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-
TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE		A1G9H0.71
DAF1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-
TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE		A1BG90.71
DAF1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-
TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE		A1PPI0.71
DAF1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-
TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE		A1RP90.71
DAF1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-
TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE		A1G940.71
DAF1,4-DEOXY-4-((5-HYDROXYMETHYL-2,3,4-
TRIHYDROXYCYCLOHEX-5-ENYL)AMINO)FRUCTOSE		A1RPK0.71
TOYTOBRAMYCINA,B1M4D0.73
TOYTOBRAMYCINA,B1LC40.73
JS5A,B2BE00.76
N30(1R,2R,3S,4R,6S)-4,6-DIAMINO-2-
[(5-AMINO-5-DEOXY-BETA-D-RIBOFURANOSYL)OXY]-
3-HYDROXYCYCLOHEXYL 2-AMINO-2-DEOXY-
ALPHA-D-GLUCOPYRANOSIDE		B2O3X0.71
JS4A,B2BEE0.76
QV44,6-dideoxy-4-{[(1S,4R,5R,6S)-4-
{[alpha-D-glucopyranosyl-(1->4)-
alpha-D-glucopyranosyl-(1->4)-alpha-
D-glucopyranosyl]oxy}-5,6-dihydroxy-
3-(hydroxymethyl)cyclohex-2-en-
1-yl]amino}-alpha-D-glucopyranose		A2QV40.74
HS22-deoxy-4-O-(4-deoxy-alpha-L-threo-
hex-4-enopyranuronosyl)-2-{[(1R)-
1-hydroxyethyl]amino}-alpha-D-glucopyranose		A,B,C3E800.72
N33A2O3V0.73
AC16-METHYL-5-(4,5,6-TRIHYDROXY-3-
HYDROXYMETHYL-CYCLOHEX-2-ENYLAMINO)-
TETRAHYDRO-PYRAN-2,3,4-TRIOL		A1W9X0.75
AC16-METHYL-5-(4,5,6-TRIHYDROXY-3-
HYDROXYMETHYL-CYCLOHEX-2-ENYLAMINO)-
TETRAHYDRO-PYRAN-2,3,4-TRIOL		A1B2Y0.75
AC16-METHYL-5-(4,5,6-TRIHYDROXY-3-
HYDROXYMETHYL-CYCLOHEX-2-ENYLAMINO)-
TETRAHYDRO-PYRAN-2,3,4-TRIOL		A1HX00.75
AC16-METHYL-5-(4,5,6-TRIHYDROXY-3-
HYDROXYMETHYL-CYCLOHEX-2-ENYLAMINO)-
TETRAHYDRO-PYRAN-2,3,4-TRIOL		A1OSE0.75
6SAACARBOSE DERIVED HEXASACCHARIDEA1XD10.73
GETGENETICINA1MWL0.81
GETGENETICINA,B,C,D1NJJ0.81
PARPAROMOMYCINA1FYP0.72
PARPAROMOMYCINV,Z2J020.72
PARPAROMOMYCINZ2UXD0.72
PARPAROMOMYCINA,D,N,Y,Z1N330.72
PARPAROMOMYCINV,Y,Z2WDM0.72
PARPAROMOMYCINY,Z2VQE0.72
PARPAROMOMYCINA,D,L,N1IBK0.72
PARPAROMOMYCINZ2UXB0.72
PARPAROMOMYCINY,Z2UU90.72
PARPAROMOMYCINZ2UXC0.72
PARPAROMOMYCINA,D,N,X1XMQ0.72
PARPAROMOMYCINB2O3W0.72
PARPAROMOMYCINV,Y,Z2WDG0.72
PARPAROMOMYCINA2Z4K0.72
PARPAROMOMYCIN4,B2Z4N0.72
PARPAROMOMYCINV,Y,Z2WDK0.72
PARPAROMOMYCINA,E2Z4M0.72
PARPAROMOMYCINA,B,C,D3BNQ0.72
PARPAROMOMYCINY,Z2UUB0.72
PARPAROMOMYCINA,D,H,N1FJG0.72
PARPAROMOMYCINA,B1J7T0.72
PARPAROMOMYCINY,Z2UUA0.72
PARPAROMOMYCINY,Z2UUC0.72
PARPAROMOMYCINA,D,J,N,X1XNQ0.72
PARPAROMOMYCINA,D,E,J,M,N,Y1N320.72
PARPAROMOMYCINA2VQY0.72
PARPAROMOMYCINA,B3C440.72
PARPAROMOMYCINV,Z2J000.72
PARPAROMOMYCIN4,B2Z4L0.72
PARPAROMOMYCINV,Y,Z2WDH0.72
PARPAROMOMYCINA,D,J,N,Y1IBL0.72
PARPAROMOMYCINA,B,C,D3BNR0.72
PARPAROMOMYCINA,D,J,N,X1XMO0.72
PARPAROMOMYCINY,Z2VQF0.72
PARPAROMOMYCINA,D,J,N,X1XNR0.72