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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01727735

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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,B2G5Q0.75
JS5A,B2BE00.73
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		A1VS70.72
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		A2HHH0.72
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		A1VS50.72
RIORIBOSTAMYCINA,B1M4G0.71
RIORIBOSTAMYCINA,B3C3Z0.71
RIORIBOSTAMYCINA,B1S3Z0.71
RIORIBOSTAMYCINA,B,C,D2FCZ0.71
RIORIBOSTAMYCINA,B2ET50.71
RIORIBOSTAMYCINA,B3DVV0.71
RIORIBOSTAMYCINA2BUE0.71
JS4A,B2BEE0.74
G0BA2JUK0.82
GETGENETICINA1MWL0.75
GETGENETICINA,B,C,D1NJJ0.75
SRYSTREPTOMYCINA,B1NTB1
SRYSTREPTOMYCINA,D,H,N1FJG1
SRYSTREPTOMYCINA,B1NTA1
GTH3-O-GLUCOPYRANOSYL-THREONINE-[2-
DEOXY-2-ACETAMIDO-GLUCOPYRANOSIDE]		A1WCT0.73
HYGHYGROMYCIN BA,E,N3DF10.73
HYGHYGROMYCIN BA,E3DF30.73
HYGHYGROMYCIN BA,D,H,N1HNZ0.73
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,C2QPU0.71
NMYNEOMYCINA2B0Q0.7
NMYNEOMYCIN4,B2QP10.7
NMYNEOMYCINA,B2ET40.7
NMYNEOMYCINA,E,N2QAN0.7
NMYNEOMYCINA,B2FCY0.7
NMYNEOMYCINA2QP00.7
NMYNEOMYCINA1I9V0.7
NMYNEOMYCINA2QAL0.7
NMYNEOMYCIN4,B2QOZ0.7
NMYNEOMYCINA,C2A040.7
NMYNEOMYCINA1EI20.7
NMYNEOMYCINA,B3C7R0.7
NMYNEOMYCIN4,B2QAM0.7
NMYNEOMYCIN4,B2QAO0.7
NMYNEOMYCINA2QOY0.7
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
FSMFORSMANN ANTIGENA2CGY0.7
AS52-(acetylamino)-4-O-[2-(acetylamino)-
2-deoxy-alpha-L-gulopyranosyl]-
1,5-anhydro-2-deoxy-D-mannitol		A,B2VLC0.7
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,B2VR50.71
MGU2-O-[2-O-METHYL-4-[2,4-DIHYDROXY-
BUTYRAMIDO]-4,6-DIDEOXY-]-ALPHA-
D-MANNOPYRANOSYL-[1-O-METHYL-4-
[2,4-DIHYDROXY-BUTYRAMIDO]-4,6-
DIDEOXY]-ALPHA-D-MANNOPYRANOSE		H1F4Y0.72
AO3ALLOSAMIDINA1X6N0.71
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,B2QBK0.75
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		A2QBH0.75
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,B2QBI0.75
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		A,B2ET30.75
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		A,E2QBJ0.75
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		A2QB90.75
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,B2QBC0.75
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,B2QBA0.75
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		A,N2QBB0.75
MMRN-((2R,3R,4S,6S)-6-(HYDROXYMETHYL)-
2-METHOXY-4-((S)-1-OXOPROPAN-2-
YLOXY)TETRAHYDRO-2H-PYRAN-3-YL)ETHANAMIDE		L2EAX0.7
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
SCMSPECTINOMYCINA,D,H,N1FJG0.76
SCMSPECTINOMYCINA2QOY0.76
SCMSPECTINOMYCINA2QOU0.76
SCMSPECTINOMYCINA,E2QOW0.76
SCMSPECTINOMYCINA2QP00.76
PARPAROMOMYCINA1FYP0.7
PARPAROMOMYCINV,Z2J020.7
PARPAROMOMYCINZ2UXD0.7
PARPAROMOMYCINA,D,N,Y,Z1N330.7
PARPAROMOMYCINV,Y,Z2WDM0.7
PARPAROMOMYCINY,Z2VQE0.7
PARPAROMOMYCINA,D,L,N1IBK0.7
PARPAROMOMYCINZ2UXB0.7
PARPAROMOMYCINY,Z2UU90.7
PARPAROMOMYCINZ2UXC0.7
PARPAROMOMYCINA,D,N,X1XMQ0.7
PARPAROMOMYCINB2O3W0.7
PARPAROMOMYCINV,Y,Z2WDG0.7
PARPAROMOMYCINA2Z4K0.7
PARPAROMOMYCIN4,B2Z4N0.7
PARPAROMOMYCINV,Y,Z2WDK0.7
PARPAROMOMYCINA,E2Z4M0.7
PARPAROMOMYCINA,B,C,D3BNQ0.7
PARPAROMOMYCINY,Z2UUB0.7
PARPAROMOMYCINA,D,H,N1FJG0.7
PARPAROMOMYCINA,B1J7T0.7
PARPAROMOMYCINY,Z2UUA0.7
PARPAROMOMYCINY,Z2UUC0.7
PARPAROMOMYCINA,D,J,N,X1XNQ0.7
PARPAROMOMYCINA,D,E,J,M,N,Y1N320.7
PARPAROMOMYCINA2VQY0.7
PARPAROMOMYCINA,B3C440.7
PARPAROMOMYCINV,Z2J000.7
PARPAROMOMYCIN4,B2Z4L0.7
PARPAROMOMYCINV,Y,Z2WDH0.7
PARPAROMOMYCINA,D,J,N,Y1IBL0.7
PARPAROMOMYCINA,B,C,D3BNR0.7
PARPAROMOMYCINA,D,J,N,X1XMO0.7
PARPAROMOMYCINY,Z2VQF0.7
PARPAROMOMYCINA,D,J,N,X1XNR0.7
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
CBSDI(N-ACETYL-D-GLUCOSAMINE)A1LJN0.7
CBSDI(N-ACETYL-D-GLUCOSAMINE)A1ZU00.7
CBSDI(N-ACETYL-D-GLUCOSAMINE)A2HRH0.7
CBSDI(N-ACETYL-D-GLUCOSAMINE)A,B1TW50.7
CBSDI(N-ACETYL-D-GLUCOSAMINE)A,H2HRG0.7
CBSDI(N-ACETYL-D-GLUCOSAMINE)12BS70.7
CBSDI(N-ACETYL-D-GLUCOSAMINE)A1C7T0.7
CBSDI(N-ACETYL-D-GLUCOSAMINE)A,B2QT60.7
CBSDI(N-ACETYL-D-GLUCOSAMINE)A1QBB0.7
CBSDI(N-ACETYL-D-GLUCOSAMINE)A1C7S0.7
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		B2F4U0.77
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		A3H8P0.78