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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03525380

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AMUBETA-N-ACETYLMURAMIC ACIDA,B,C,D2APH0.73
AMUBETA-N-ACETYLMURAMIC ACIDA,P1TWQ0.73
AMUBETA-N-ACETYLMURAMIC ACIDA1D0K0.73
AMUBETA-N-ACETYLMURAMIC ACIDS9LYZ0.73
AMUBETA-N-ACETYLMURAMIC ACIDE,S148L0.73
AMUBETA-N-ACETYLMURAMIC ACIDD,K3CYQ0.73
AMUBETA-N-ACETYLMURAMIC ACIDU2AIZ0.73
GCSD-GLUCOSAMINEA3CO40.77
GCSD-GLUCOSAMINEA1QGI0.77
GCSD-GLUCOSAMINEA,B2VZS0.77
GCSD-GLUCOSAMINEA1E9L0.77
GCSD-GLUCOSAMINEA,B,C,D3FXI0.77
GCSD-GLUCOSAMINEA,B2VZV0.77
TOC2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSEA2TOB0.73
TOC2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSEA1TOB0.73
AMN9-DEOXY-9-AMINO-2-O-METHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGJ0.72
MYGGLUCOSAMINYL-(ALPHA-6)-D-MYO-INOSITOLA1GYM0.71
SCMSPECTINOMYCINA,D,H,N1FJG0.72
SCMSPECTINOMYCINA2QOY0.72
SCMSPECTINOMYCINA2QOU0.72
SCMSPECTINOMYCINA,E2QOW0.72
SCMSPECTINOMYCINA2QP00.72
PA1PAROMOMYCIN (RING 1)A1PBR0.77
PA1PAROMOMYCIN (RING 1)A1QKC0.77
PA1PAROMOMYCIN (RING 1)A1QFG0.77
PA1PAROMOMYCIN (RING 1)A1FI10.77
PA1PAROMOMYCIN (RING 1)A,B,C,D3FXI0.77
PA1PAROMOMYCIN (RING 1)A1QFF0.77
TOA3-DEOXY-3-AMINO GLUCOSEA1TOB0.72
TOA3-DEOXY-3-AMINO GLUCOSEA2TOB0.72
MUBN-ACETYLMURAMIC ACIDL,N1WCO0.73
ANA4-O-ACETYL-ALPHA-2-OMETHYL-5-N-
ACETYL-ALPHA-D-NEURAMINIC ACID		A,B,C,D,E,F1HGI0.71
CBFC-(1-HYDROGYL-BETA-D-GLUCOPYRANOSYL) FORMAMIDEA1P4J0.72
IDGO-2,6-DIAMINO-2,6-DIDEOXY-BETA-
L-IDOPYRANOSE		A1QD30.76
IDGO-2,6-DIAMINO-2,6-DIDEOXY-BETA-
L-IDOPYRANOSE		A1NEM0.76
IDGO-2,6-DIAMINO-2,6-DIDEOXY-BETA-
L-IDOPYRANOSE		A1PBR0.76
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE		A2J8G0.72
AMVMETHYL 2-(ACETYLAMINO)-3-O-[(1R)-
1-CARBOXYETHYL]-2-DEOXY-BETA-D-
GLUCOPYRANOSIDE		A2J8F0.72
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
NXDMETHYL 5-(ACETYLAMINO)-9-{[AMINO(OXO)ACETYL]AMINO}-
3,5,9-TRIDEOXY-D-GLYCERO-ALPHA-
D-GLUCO-NON-2-ULOPYRANOSIDONIC ACID		A2G5R0.71
GP4GLUCOSAMINE 4-PHOSPHATEA1FCP0.71
GP4GLUCOSAMINE 4-PHOSPHATEA,B,C1Q9W0.71
GP4GLUCOSAMINE 4-PHOSPHATEA2FCP0.71
SIAO-SIALIC ACIDA,B1DBN0.73
SIAO-SIALIC ACIDA,B,C2DQY0.73
SIAO-SIALIC ACIDA,B3H720.73
SIAO-SIALIC ACIDA1N1Y0.73
SIAO-SIALIC ACIDA,B,C,D,E,F1V0F0.73
SIAO-SIALIC ACIDA,B,C1YAH0.73
SIAO-SIALIC ACIDA1MWE0.73
SIAO-SIALIC ACIDA,B,C,D,E,F1MX10.73
SIAO-SIALIC ACIDA2JH70.73
SIAO-SIALIC ACIDA1F310.73
SIAO-SIALIC ACIDA,B,C,D,E,F1SID0.73
SIAO-SIALIC ACIDA1W0P0.73
SIAO-SIALIC ACIDA,B2EHI0.73
SIAO-SIALIC ACIDA2RDG0.73
SIAO-SIALIC ACIDA,B2WGC0.73
SIAO-SIALIC ACIDA,B,C1USX0.73
SIAO-SIALIC ACIDH1MCO0.73
SIAO-SIALIC ACIDA,B,C,D1W200.73
SIAO-SIALIC ACIDA,B,C,D1G1R0.73
SIAO-SIALIC ACIDA,B,C,D,E,F1HGG0.73
SIAO-SIALIC ACIDA1FV20.73
SIAO-SIALIC ACIDA,B,D,E,G,H1MQM0.73
SIAO-SIALIC ACIDA,B,C1QFO0.73
SIAO-SIALIC ACIDC,D,E,F,H,I,
L,M,N,Q,R,S		2W9L0.73
SIAO-SIALIC ACIDB1URL0.73
SIAO-SIALIC ACIDA,B2RFT0.73
SIAO-SIALIC ACIDB,C,I1PTO0.73
SIAO-SIALIC ACIDA2HRL0.73
SIAO-SIALIC ACIDA2R610.73
SIAO-SIALIC ACIDA2ZG30.73
SIAO-SIALIC ACIDA,B,C,E,G,I,
J,K,L		1RVX0.73
SIAO-SIALIC ACIDA,B,C,D,E3BWR0.73
SIAO-SIALIC ACIDA,B,C,D1W1X0.73
SIAO-SIALIC ACIDA,B,C,D1WW40.73
SIAO-SIALIC ACIDA,B,C,D,E1VPS0.73
SIAO-SIALIC ACIDA2V730.73
SIAO-SIALIC ACIDA,B1JSH0.73
SIAO-SIALIC ACIDA,B,C,D1W210.73
SIAO-SIALIC ACIDA,B1JSN0.73
SIAO-SIALIC ACIDA,B,C,D1OW00.73
SIAO-SIALIC ACIDA2OSX0.73
SIAO-SIALIC ACIDA,B,C,D1G1S0.73
SIAO-SIALIC ACIDA2C4L0.73
SIAO-SIALIC ACIDA2Z8L0.73
SIAO-SIALIC ACIDA2JHD0.73
SIAO-SIALIC ACIDA,C,E,H,I,J1LGC0.73
SIAO-SIALIC ACIDA1G1T0.73
SIAO-SIALIC ACIDA,C,E,F,G,I,K1RVZ0.73
SIAO-SIALIC ACIDA,B,C,D,E,F1MX50.73
SIAO-SIALIC ACID1,2,32KMB0.73
SIAO-SIALIC ACIDA,B,C,D,E,F4HMG0.73
SIAO-SIALIC ACIDA,B1NSC0.73
SIAO-SIALIC ACIDA,B,C2W680.73
SIAO-SIALIC ACIDA1SE30.73
SIAO-SIALIC ACIDA,B,C1UXA0.73
SIAO-SIALIC ACIDA2QWB0.73
SIAO-SIALIC ACIDA2VU90.73
SIAO-SIALIC ACIDH,J,L1RVT0.73
SIAO-SIALIC ACIDA,B1FV30.73
SIAO-SIALIC ACIDA,B2C250.73
SIAO-SIALIC ACIDA,B,C,D,E,F2HRQ0.73
SIAO-SIALIC ACIDD,E,F,G,H3CHB0.73
SIAO-SIALIC ACIDA,B2WBW0.73
SIAO-SIALIC ACIDA,B1USR0.73
SIAO-SIALIC ACIDA,B,E1KJ20.73
SIAO-SIALIC ACIDA,B,C2HRR0.73
SIAO-SIALIC ACIDA1QDD0.73
SIAO-SIALIC ACIDA,B,C,D,E,F1SIE0.73
SIAO-SIALIC ACIDA,B,C,D1ZAG0.73
SIAO-SIALIC ACIDD,E,F,G,H2CHB0.73
SIAO-SIALIC ACIDB1H7T0.73
SIAO-SIALIC ACIDA,B2DS00.73
SIAO-SIALIC ACIDA2ZG10.73
SIAO-SIALIC ACIDA,B,C2DR00.73
SIAO-SIALIC ACIDA,B,C1UXB0.73
SIAO-SIALIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1YAJ0.73
SIAO-SIALIC ACIDA,B2RFU0.73
SIAO-SIALIC ACIDA1W0O0.73
SIAO-SIALIC ACIDB,C,E,F,H,I,
K,L		3GHG0.73
SIAO-SIALIC ACIDA,B,C1YA40.73
SIAO-SIALIC ACIDA,B,D2CWG0.73
SIAO-SIALIC ACIDA,B,C2DQZ0.73
SIAO-SIALIC ACIDA,B,C,D,E,F2H7C0.73
SIAO-SIALIC ACIDA,B,C1YA80.73
SIAO-SIALIC ACIDA2C4A0.73
SIAO-SIALIC ACIDF,G,H1CT10.73
SIAO-SIALIC ACIDA1YYN0.73
SIAO-SIALIC ACIDA,B1JSO0.73
SIAO-SIALIC ACIDA,B1WGC0.73
SIAO-SIALIC ACIDA,B,C,D,E,F5HMG0.73
SIAO-SIALIC ACIDA2BF60.73
SIAO-SIALIC ACIDA,B,D,E,G,H1MQN0.73
SIAO-SIALIC ACIDA2DF30.73
SIAO-SIALIC ACIDA2BAT0.73
SIAO-SIALIC ACIDA,B,C,D,E,F2WBV0.73
SIAO-SIALIC ACIDA,B1JSI0.73
TNRO-(2-ACETAMIDO-2-DEOXY-ALPHA-D-
GALACTOPYRANOSYL)-L-SERINE		A,B,C,D1N470.71
TNRO-(2-ACETAMIDO-2-DEOXY-ALPHA-D-
GALACTOPYRANOSYL)-L-SERINE		A2CGZ0.71
TNRO-(2-ACETAMIDO-2-DEOXY-ALPHA-D-
GALACTOPYRANOSYL)-L-SERINE		A,B,C,D2D3S0.71
TNRO-(2-ACETAMIDO-2-DEOXY-ALPHA-D-
GALACTOPYRANOSYL)-L-SERINE		A2D7R0.71
GP1GLUCOSAMINE 1-PHOSPHATEA,B,C1Q9W0.71
GP1GLUCOSAMINE 1-PHOSPHATEA,B2OI60.71
GP1GLUCOSAMINE 1-PHOSPHATEA2FCP0.71
GP1GLUCOSAMINE 1-PHOSPHATEA1FCP0.71
GP1GLUCOSAMINE 1-PHOSPHATEA1UJW0.71
MU2N-ACETYLMURAMYL-L-ALANYL-D-ISOGLUTAMINEA2IXV0.74
MU2N-ACETYLMURAMYL-L-ALANYL-D-ISOGLUTAMINEA2IXU0.74
GCN3-DEOXY-D-GLUCOSAMINEA1FI10.77
GCN3-DEOXY-D-GLUCOSAMINEA1QFG0.77
GCN3-DEOXY-D-GLUCOSAMINEA1QKC0.77
GCN3-DEOXY-D-GLUCOSAMINEA,B2GRX0.77
GCN3-DEOXY-D-GLUCOSAMINEA1QJQ0.77
GCN3-DEOXY-D-GLUCOSAMINEA1QFF0.77
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B2ZOE0.73
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA1DFQ0.73
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B,C,D,E,F1V0F0.73
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA3B500.73
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1V3C0.73
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1FV30.73
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B,C,D3E810.73
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDF2JHL0.73
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA1FV20.73
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1E8U0.73
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA2BER0.73
SIOmethyl 4,9-di-O-acetyl-5-(acetylamino)-
3,5-dideoxy-D-glycero-alpha-D-galacto-
non-2-ulopyranosidonic acid		A3CL50.71
MURMURAMIC ACIDA,C,E,G1LOD0.84
SGNN,O6-DISULFO-GLUCOSAMINEA,B1FQ90.71
SGNN,O6-DISULFO-GLUCOSAMINEB2AXM0.71
SGNN,O6-DISULFO-GLUCOSAMINEA,B1GMN0.71
SGNN,O6-DISULFO-GLUCOSAMINEA,B1T8U0.71
SGNN,O6-DISULFO-GLUCOSAMINEA1BFB0.71
SGNN,O6-DISULFO-GLUCOSAMINEB,D,F,H1XMN0.71
SGNN,O6-DISULFO-GLUCOSAMINEA,B,C,D,E,F,
G,H		1GMO0.71
SGNN,O6-DISULFO-GLUCOSAMINEA,B,C,D,E,F1AXM0.71
SGNN,O6-DISULFO-GLUCOSAMINEA1XT30.71
SGNN,O6-DISULFO-GLUCOSAMINE11QQP0.71
SGNN,O6-DISULFO-GLUCOSAMINEA,B1RID0.71
SGNN,O6-DISULFO-GLUCOSAMINEA1G5N0.71
SGNN,O6-DISULFO-GLUCOSAMINEA,B2BRS0.71
SGNN,O6-DISULFO-GLUCOSAMINEA1HPN0.71
SGNN,O6-DISULFO-GLUCOSAMINEA1ZA40.71
SGNN,O6-DISULFO-GLUCOSAMINE11ZBA0.71
SGNN,O6-DISULFO-GLUCOSAMINEA1BFC0.71
SGNN,O6-DISULFO-GLUCOSAMINEA,B,C,D2VRA0.71
SGNN,O6-DISULFO-GLUCOSAMINEA2HYV0.71
SGNN,O6-DISULFO-GLUCOSAMINEH,I3B9F0.71
SGNN,O6-DISULFO-GLUCOSAMINEA,B3DY00.71
SGNN,O6-DISULFO-GLUCOSAMINEA2HYU0.71
SGNN,O6-DISULFO-GLUCOSAMINEB,C,D,E1E0O0.71
NGC3,5-dideoxy-5-[(hydroxyacetyl)amino]-
D-glycero-alpha-D-galacto-non-2-
ulopyranosonic acid		A,B,C,D,E3DWP0.73
NGC3,5-dideoxy-5-[(hydroxyacetyl)amino]-
D-glycero-alpha-D-galacto-non-2-
ulopyranosonic acid		A,B,C,D,E3DWQ0.73
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1CPU0.73
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1NM90.73
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1MFV0.73
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1PIG0.73
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEX1Z320.73
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA1MFU0.73
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA3BLK0.73
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEX3BLP0.73
AGL4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSEA3DHP0.73
GDA4-DEOXY-4-AMINO-BETA-D-GLUCOSEA,B1OCB0.73
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE		A1QD30.76
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE		B1O9M0.76
BDGO-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-
D-GLUCOPYRANOSE		A1NEM0.76
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3I0.71
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA1KQR0.71
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B,C,D,E,F1HGH0.71
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B2I2S0.71
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3J0.71
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA,B,C,D,E,F1HGE0.71
MNA2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACIDA2P3K0.71
1GN2-DEOXY-2-AMINOGALACTOSEA,B3GAL0.77
GNSN-SULFO-ALPHA-D-GLUCOSAMINEA2ERM0.72
MDPN-CARBOXY-N-METHYL-MURAMIC ACID1,2,3,4,A,C,
E,G		1LOC0.71
DAG4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDEA2PIK0.73
DAG4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDEA6CGT0.73
DAG4,6-DIDEOXY-4-AMINO-BETA-D-GLUCOPYRANOSIDEA,B1PIK0.73
GLGALPHA-D-GLUCOPYRANOSYL-2-CARBOXYLIC ACID AMIDEA1GG80.7
NTOTRISULFOAMINO HEPARIN PENTASACCHARIDEB,C,H,I2GD40.7
NTOTRISULFOAMINO HEPARIN PENTASACCHARIDEI,L3EVJ0.7
GLPGLUCOSAMINE 6-PHOSPHATEE,F,G,H,P,Q,
R,S		2NZ40.71
GLPGLUCOSAMINE 6-PHOSPHATEA1MOQ0.71
GLPGLUCOSAMINE 6-PHOSPHATEA3CXQ0.71
GLPGLUCOSAMINE 6-PHOSPHATEA,B3B4A0.71
GLPGLUCOSAMINE 6-PHOSPHATEA,B3B4C0.71
GLPGLUCOSAMINE 6-PHOSPHATEA,B3B4B0.71
GLPGLUCOSAMINE 6-PHOSPHATEA,B2VHL0.71
GLPGLUCOSAMINE 6-PHOSPHATEA,B2Z750.71
GLPGLUCOSAMINE 6-PHOSPHATEX2VF50.71
GLPGLUCOSAMINE 6-PHOSPHATEA,B2RI10.71