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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01727583

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NLC2-(ACETYLAMINO)-2-DEOXY-4-O-BETA-
D-GALACTOPYRANOSYL-ALPHA-D-GLUCOPYRANOSE		A,B2VS40.73
NLC2-(ACETYLAMINO)-2-DEOXY-4-O-BETA-
D-GALACTOPYRANOSYL-ALPHA-D-GLUCOPYRANOSE		A1W3G0.73
NLC2-(ACETYLAMINO)-2-DEOXY-4-O-BETA-
D-GALACTOPYRANOSYL-ALPHA-D-GLUCOPYRANOSE		A,B3EHN0.73
NLC2-(ACETYLAMINO)-2-DEOXY-4-O-BETA-
D-GALACTOPYRANOSYL-ALPHA-D-GLUCOPYRANOSE		A1W3F0.73
NLC2-(ACETYLAMINO)-2-DEOXY-4-O-BETA-
D-GALACTOPYRANOSYL-ALPHA-D-GLUCOPYRANOSE		A1ZJ10.73
NLC2-(ACETYLAMINO)-2-DEOXY-4-O-BETA-
D-GALACTOPYRANOSYL-ALPHA-D-GLUCOPYRANOSE		A2YY10.73
NLC2-(ACETYLAMINO)-2-DEOXY-4-O-BETA-
D-GALACTOPYRANOSYL-ALPHA-D-GLUCOPYRANOSE		A1ZI30.73
NLC2-(ACETYLAMINO)-2-DEOXY-4-O-BETA-
D-GALACTOPYRANOSYL-ALPHA-D-GLUCOPYRANOSE		A,B2VS30.73
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL		A,B1NAA0.73
ABL6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-
6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-
2-YLOXY)-PIPERIDINE-2,3,4-TRIOL		A2AXR0.73
TOYTOBRAMYCINA,B1M4D0.76
TOYTOBRAMYCINA,B1LC40.76
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,B2G5Q0.73
ISXGLUCOSE BETA-1,3-ISOFAGAMINEA2BVD0.73
AM2APRAMYCINB2OE80.77
AM2APRAMYCINA,B2OE50.77
AM2APRAMYCINA,B1YRJ0.77
AM2APRAMYCINA,B2G5K0.77
FSMFORSMANN ANTIGENA2CGY0.75
SCMSPECTINOMYCINA,D,H,N1FJG0.7
SCMSPECTINOMYCINA2QOY0.7
SCMSPECTINOMYCINA2QOU0.7
SCMSPECTINOMYCINA,E2QOW0.7
SCMSPECTINOMYCINA2QP00.7
AS52-(acetylamino)-4-O-[2-(acetylamino)-
2-deoxy-alpha-L-gulopyranosyl]-
1,5-anhydro-2-deoxy-D-mannitol		A,B2VLC0.75
N33A2O3V0.76
LM2A1U330.75
CTOTRIACETYLCHITOTRIOSEA,B1BB50.73
CTOTRIACETYLCHITOTRIOSEB2H5Z0.73
CTOTRIACETYLCHITOTRIOSEA,B,C,D2R0H0.73
CTOTRIACETYLCHITOTRIOSEA,B,C2AH90.73
M5GA3CZN0.7
RIORIBOSTAMYCINA,B1M4G0.8
RIORIBOSTAMYCINA,B3C3Z0.8
RIORIBOSTAMYCINA,B1S3Z0.8
RIORIBOSTAMYCINA,B,C,D2FCZ0.8
RIORIBOSTAMYCINA,B2ET50.8
RIORIBOSTAMYCINA,B3DVV0.8
RIORIBOSTAMYCINA2BUE0.8
AO3ALLOSAMIDINA1X6N0.75
DR36-DEOXY-ALPHA-L-GLUCOPYRANOSYL-
(1->2)-BETA-D-GULOPYRANOSYL-(1-
>3)-2-DEOXY-2-[(1-HYDROXYETHYL)AMINO]-
ALPHA-L-TALOPYRANOSE		A1ZJ20.77
DR36-DEOXY-ALPHA-L-GLUCOPYRANOSYL-
(1->2)-BETA-D-GULOPYRANOSYL-(1-
>3)-2-DEOXY-2-[(1-HYDROXYETHYL)AMINO]-
ALPHA-L-TALOPYRANOSE		A1ZI50.77
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		A3H8P0.76
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,D1ZZ50.84
KNCKANAMYCIN CA1V0C0.76
NMYNEOMYCINA2B0Q0.78
NMYNEOMYCIN4,B2QP10.78
NMYNEOMYCINA,B2ET40.78
NMYNEOMYCINA,E,N2QAN0.78
NMYNEOMYCINA,B2FCY0.78
NMYNEOMYCINA2QP00.78
NMYNEOMYCINA1I9V0.78
NMYNEOMYCINA2QAL0.78
NMYNEOMYCIN4,B2QOZ0.78
NMYNEOMYCINA,C2A040.78
NMYNEOMYCINA1EI20.78
NMYNEOMYCINA,B3C7R0.78
NMYNEOMYCIN4,B2QAM0.78
NMYNEOMYCIN4,B2QAO0.78
NMYNEOMYCINA2QOY0.78
9MR(3R,4R,5R)-3-HYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
4-YL BETA-D-GLUCOPYRANOSIDE		A3CUF0.72
9MR(3R,4R,5R)-3-HYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-
4-YL BETA-D-GLUCOPYRANOSIDE		A,B2OYK0.72
G3I(3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-
4-yl beta-D-glucopyranosyl-(1->4)-
beta-D-glucopyranosyl-(1->4)-beta-
D-glucopyranoside		A3CUG0.7
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		A2QIR0.76
KANKANAMYCIN AA1L8T0.76
KANKANAMYCIN AA,B1M4I0.76
KANKANAMYCIN AA,B1ND40.76
KANKANAMYCIN AA,B1KNY0.76
KANKANAMYCIN AA,B2ESI0.76
GETGENETICINA1MWL0.83
GETGENETICINA,B,C,D1NJJ0.83
CBSDI(N-ACETYL-D-GLUCOSAMINE)A1LJN0.75
CBSDI(N-ACETYL-D-GLUCOSAMINE)A1ZU00.75
CBSDI(N-ACETYL-D-GLUCOSAMINE)A2HRH0.75
CBSDI(N-ACETYL-D-GLUCOSAMINE)A,B1TW50.75
CBSDI(N-ACETYL-D-GLUCOSAMINE)A,H2HRG0.75
CBSDI(N-ACETYL-D-GLUCOSAMINE)12BS70.75
CBSDI(N-ACETYL-D-GLUCOSAMINE)A1C7T0.75
CBSDI(N-ACETYL-D-GLUCOSAMINE)A,B2QT60.75
CBSDI(N-ACETYL-D-GLUCOSAMINE)A1QBB0.75
CBSDI(N-ACETYL-D-GLUCOSAMINE)A1C7S0.75
GTH3-O-GLUCOPYRANOSYL-THREONINE-[2-
DEOXY-2-ACETAMIDO-GLUCOPYRANOSIDE]		A1WCT0.71
JS5A,B2BE00.8
EAG2-aminoethyl 2-(acetylamino)-2-
deoxy-beta-D-glucopyranoside		B,D,E,F,H3BZ40.72
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		B2O3X0.8
HYGHYGROMYCIN BA,E,N3DF10.81
HYGHYGROMYCIN BA,E3DF30.81
HYGHYGROMYCIN BA,D,H,N1HNZ0.81
JS4A,B2BEE0.82
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		A1VS70.76
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		A2HHH0.76
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		A1VS50.76
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		B2F4S0.74
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,B2FCX0.74
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		B2ET80.74
G0BA2JUK0.92
MYGGLUCOSAMINYL-(ALPHA-6)-D-MYO-INOSITOLA1GYM0.72
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		A,D,M,N,Z2F4V0.73
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		B2F4T0.73
SRYSTREPTOMYCINA,B1NTB0.9
SRYSTREPTOMYCINA,D,H,N1FJG0.9
SRYSTREPTOMYCINA,B1NTA0.9
ABDACARBOSE DERIVED HEXASACCHARIDEA1QHO0.71
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		B2F4U0.75
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
PARPAROMOMYCINA1FYP0.78
PARPAROMOMYCINV,Z2J020.78
PARPAROMOMYCINZ2UXD0.78
PARPAROMOMYCINA,D,N,Y,Z1N330.78
PARPAROMOMYCINV,Y,Z2WDM0.78
PARPAROMOMYCINY,Z2VQE0.78
PARPAROMOMYCINA,D,L,N1IBK0.78
PARPAROMOMYCINZ2UXB0.78
PARPAROMOMYCINY,Z2UU90.78
PARPAROMOMYCINZ2UXC0.78
PARPAROMOMYCINA,D,N,X1XMQ0.78
PARPAROMOMYCINB2O3W0.78
PARPAROMOMYCINV,Y,Z2WDG0.78
PARPAROMOMYCINA2Z4K0.78
PARPAROMOMYCIN4,B2Z4N0.78
PARPAROMOMYCINV,Y,Z2WDK0.78
PARPAROMOMYCINA,E2Z4M0.78
PARPAROMOMYCINA,B,C,D3BNQ0.78
PARPAROMOMYCINY,Z2UUB0.78
PARPAROMOMYCINA,D,H,N1FJG0.78
PARPAROMOMYCINA,B1J7T0.78
PARPAROMOMYCINY,Z2UUA0.78
PARPAROMOMYCINY,Z2UUC0.78
PARPAROMOMYCINA,D,J,N,X1XNQ0.78
PARPAROMOMYCINA,D,E,J,M,N,Y1N320.78
PARPAROMOMYCINA2VQY0.78
PARPAROMOMYCINA,B3C440.78
PARPAROMOMYCINV,Z2J000.78
PARPAROMOMYCIN4,B2Z4L0.78
PARPAROMOMYCINV,Y,Z2WDH0.78
PARPAROMOMYCINA,D,J,N,Y1IBL0.78
PARPAROMOMYCINA,B,C,D3BNR0.78
PARPAROMOMYCINA,D,J,N,X1XMO0.78
PARPAROMOMYCINY,Z2VQF0.78
PARPAROMOMYCINA,D,J,N,X1XNR0.78
LAGMALTOSYL-ALPHA (1,4)-(Z,3S,4S,5R,6R)-
3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-
PIPERIDIN-2-ONE OXIME		A1U300.74
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
GYUGLYCOSYLURETHANA,B2UWG0.7
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,C2QPU0.78
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA1M7D0.71
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA1LED0.71
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA1GSL0.71
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA1FWU0.71
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA,B,C,D1G1R0.71
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA1FWV0.71
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA1G1T0.71
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINE1,2,33KMB0.71
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINE1,2,32KMB0.71
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA,B1ZPL0.71
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINE1,2,34KMB0.71
MAGBETA-METHYL-N-ACETYL-D-GLUCOSAMINEA,H1UZ80.71
STZSTREPTOZOTOCINA2W4X0.7
MGCALPHA-METHYL-N-ACETYL-D-GALACTOSAMINEA,C,E,G1UH10.71
MGCALPHA-METHYL-N-ACETYL-D-GALACTOSAMINEA,B,C,D2DU10.71
MGCALPHA-METHYL-N-ACETYL-D-GALACTOSAMINEA,C,E,G1UH00.71
MGCALPHA-METHYL-N-ACETYL-D-GALACTOSAMINEA,B,C,D2DVA0.71
MGCALPHA-METHYL-N-ACETYL-D-GALACTOSAMINEA1UGX0.71
G2I(3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-
4-yl 4-O-beta-D-glucopyranosyl-
beta-D-glucopyranoside		A3CUH0.72
GYTBIS-(2-ACETAMIDO-2-DEOXY-ALPHA-
D-GLUCOPYRANOSYLOXYCARBONYL)-4,7,10-
TRIOXA-1,13-TRIDECANEDIAMINE		A,B2UWZ0.74
LIVA,B2ESJ0.76
LIVA,B2FD00.76
LIVA,B3C5D0.76
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,B2VR50.78
GACDIHYDRO-ACARBOSEA1GAI0.76