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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03796912

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
IEM5-ACETAMIDO-5,6-DIHYDRO-4-HYDROXY-
6-ISOBUTOXY-4H-PYRAN-2-CARBOXYLIC ACID
A2F110.76
H1SHEPARIN DISACCHARIDE I-SA,B1U4L0.73
H1SHEPARIN DISACCHARIDE I-SA2NWG0.73
H1SHEPARIN DISACCHARIDE I-SA,B2FUT0.73
DYM6-(2,3-DIHYDROXYPROPOXY)-5-ACETAMIDO-
5,6-DIHYDRO-4-HYDROXY-4H-PYRAN-
2-CARBOXYLIC ACID
A2F130.78
MUBN-ACETYLMURAMIC ACIDL,N1WCO0.73
4AM4-AMINO-2-DEOXY-2,3-DEHYDRO-N-NEURAMINIC ACIDA1F8C0.91
4AM4-AMINO-2-DEOXY-2,3-DEHYDRO-N-NEURAMINIC ACIDA2QWD0.91
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID
A2QWH0.74
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID
A3CL00.74
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID
A2QWK0.74
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID
A,B,C,D,E,F,
G,H
3CL20.74
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID
A2HT80.74
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID
A2HT70.74
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID
B2HU00.74
G395-N-ACETYL-3-(1-ETHYLPROPYL)-1-
CYCLOHEXENE-1-CARBOXYLIC ACID
A,B,C,D,E,F,
G,H
2HU40.74
HTM6-(3-HYDROXYPROPOXY)-5-ACETAMIDO-
5,6-DIHYDRO-4-HYDROXY-4H-PYRAN-
2-CARBOXYLIC ACID
A2F120.77
SIAO-SIALIC ACIDA,B1DBN0.71
SIAO-SIALIC ACIDA,B,C2DQY0.71
SIAO-SIALIC ACIDA,B3H720.71
SIAO-SIALIC ACIDA1N1Y0.71
SIAO-SIALIC ACIDA,B,C,D,E,F1V0F0.71
SIAO-SIALIC ACIDA,B,C1YAH0.71
SIAO-SIALIC ACIDA1MWE0.71
SIAO-SIALIC ACIDA,B,C,D,E,F1MX10.71
SIAO-SIALIC ACIDA2JH70.71
SIAO-SIALIC ACIDA1F310.71
SIAO-SIALIC ACIDA,B,C,D,E,F1SID0.71
SIAO-SIALIC ACIDA1W0P0.71
SIAO-SIALIC ACIDA,B2EHI0.71
SIAO-SIALIC ACIDA2RDG0.71
SIAO-SIALIC ACIDA,B2WGC0.71
SIAO-SIALIC ACIDA,B,C1USX0.71
SIAO-SIALIC ACIDH1MCO0.71
SIAO-SIALIC ACIDA,B,C,D1W200.71
SIAO-SIALIC ACIDA,B,C,D1G1R0.71
SIAO-SIALIC ACIDA,B,C,D,E,F1HGG0.71
SIAO-SIALIC ACIDA1FV20.71
SIAO-SIALIC ACIDA,B,D,E,G,H1MQM0.71
SIAO-SIALIC ACIDA,B,C1QFO0.71
SIAO-SIALIC ACIDC,D,E,F,H,I,
L,M,N,Q,R,S
2W9L0.71
SIAO-SIALIC ACIDB1URL0.71
SIAO-SIALIC ACIDA,B2RFT0.71
SIAO-SIALIC ACIDB,C,I1PTO0.71
SIAO-SIALIC ACIDA2HRL0.71
SIAO-SIALIC ACIDA2R610.71
SIAO-SIALIC ACIDA2ZG30.71
SIAO-SIALIC ACIDA,B,C,E,G,I,
J,K,L
1RVX0.71
SIAO-SIALIC ACIDA,B,C,D,E3BWR0.71
SIAO-SIALIC ACIDA,B,C,D1W1X0.71
SIAO-SIALIC ACIDA,B,C,D1WW40.71
SIAO-SIALIC ACIDA,B,C,D,E1VPS0.71
SIAO-SIALIC ACIDA2V730.71
SIAO-SIALIC ACIDA,B1JSH0.71
SIAO-SIALIC ACIDA,B,C,D1W210.71
SIAO-SIALIC ACIDA,B1JSN0.71
SIAO-SIALIC ACIDA,B,C,D1OW00.71
SIAO-SIALIC ACIDA2OSX0.71
SIAO-SIALIC ACIDA,B,C,D1G1S0.71
SIAO-SIALIC ACIDA2C4L0.71
SIAO-SIALIC ACIDA2Z8L0.71
SIAO-SIALIC ACIDA2JHD0.71
SIAO-SIALIC ACIDA,C,E,H,I,J1LGC0.71
SIAO-SIALIC ACIDA1G1T0.71
SIAO-SIALIC ACIDA,C,E,F,G,I,K1RVZ0.71
SIAO-SIALIC ACIDA,B,C,D,E,F1MX50.71
SIAO-SIALIC ACID1,2,32KMB0.71
SIAO-SIALIC ACIDA,B,C,D,E,F4HMG0.71
SIAO-SIALIC ACIDA,B1NSC0.71
SIAO-SIALIC ACIDA,B,C2W680.71
SIAO-SIALIC ACIDA1SE30.71
SIAO-SIALIC ACIDA,B,C1UXA0.71
SIAO-SIALIC ACIDA2QWB0.71
SIAO-SIALIC ACIDA2VU90.71
SIAO-SIALIC ACIDH,J,L1RVT0.71
SIAO-SIALIC ACIDA,B1FV30.71
SIAO-SIALIC ACIDA,B2C250.71
SIAO-SIALIC ACIDA,B,C,D,E,F2HRQ0.71
SIAO-SIALIC ACIDD,E,F,G,H3CHB0.71
SIAO-SIALIC ACIDA,B2WBW0.71
SIAO-SIALIC ACIDA,B1USR0.71
SIAO-SIALIC ACIDA,B,E1KJ20.71
SIAO-SIALIC ACIDA,B,C2HRR0.71
SIAO-SIALIC ACIDA1QDD0.71
SIAO-SIALIC ACIDA,B,C,D,E,F1SIE0.71
SIAO-SIALIC ACIDA,B,C,D1ZAG0.71
SIAO-SIALIC ACIDD,E,F,G,H2CHB0.71
SIAO-SIALIC ACIDB1H7T0.71
SIAO-SIALIC ACIDA,B2DS00.71
SIAO-SIALIC ACIDA2ZG10.71
SIAO-SIALIC ACIDA,B,C2DR00.71
SIAO-SIALIC ACIDA,B,C1UXB0.71
SIAO-SIALIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1YAJ0.71
SIAO-SIALIC ACIDA,B2RFU0.71
SIAO-SIALIC ACIDA1W0O0.71
SIAO-SIALIC ACIDB,C,E,F,H,I,
K,L
3GHG0.71
SIAO-SIALIC ACIDA,B,C1YA40.71
SIAO-SIALIC ACIDA,B,D2CWG0.71
SIAO-SIALIC ACIDA,B,C2DQZ0.71
SIAO-SIALIC ACIDA,B,C,D,E,F2H7C0.71
SIAO-SIALIC ACIDA,B,C1YA80.71
SIAO-SIALIC ACIDA2C4A0.71
SIAO-SIALIC ACIDF,G,H1CT10.71
SIAO-SIALIC ACIDA1YYN0.71
SIAO-SIALIC ACIDA,B1JSO0.71
SIAO-SIALIC ACIDA,B1WGC0.71
SIAO-SIALIC ACIDA,B,C,D,E,F5HMG0.71
SIAO-SIALIC ACIDA2BF60.71
SIAO-SIALIC ACIDA,B,D,E,G,H1MQN0.71
SIAO-SIALIC ACIDA2DF30.71
SIAO-SIALIC ACIDA2BAT0.71
SIAO-SIALIC ACIDA,B,C,D,E,F2WBV0.71
SIAO-SIALIC ACIDA,B1JSI0.71
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
BEUN-[(1S,2R,5R,6R)-2-AMINO-5,6-DIHYDROXY-
4-(HYDROXYMETHYL)CYCLOHEX-3-EN-
1-YL]ACETAMIDE
A,B2JIW0.73
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B2ZOE0.71
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA1DFQ0.71
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B,C,D,E,F1V0F0.71
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA3B500.71
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1V3C0.71
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1FV30.71
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B,C,D3E810.71
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDF2JHL0.71
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA1FV20.71
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA,B1E8U0.71
SLB5-N-ACETYL-BETA-D-NEURAMINIC ACIDA2BER0.71
HS22-deoxy-4-O-(4-deoxy-alpha-L-threo-
hex-4-enopyranuronosyl)-2-{[(1R)-
1-hydroxyethyl]amino}-alpha-D-glucopyranose
A,B,C3E800.85
ZMRZANAMIVIRA2F0Z0.86
ZMRZANAMIVIRA1NNC0.86
ZMRZANAMIVIRA,B3B7E0.86
ZMRZANAMIVIRA,B1V3E0.86
ZMRZANAMIVIRA,B1A4G0.86
ZMRZANAMIVIRA3CKZ0.86
ZMRZANAMIVIRA2HTQ0.86
ZMRZANAMIVIRA,B,C,D2CML0.86
7GPETHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATEA2F3S0.71
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID
A2AH20.71
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID
A2FHR0.71
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID
A2A750.71
FSI5-(ACETYLAMINO)-2,6-ANHYDRO-3,5-
DIDEOXY-3-FLUORONONONIC ACID
A,B2VK70.71
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
A,B2AHG0.89
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
A2D8L0.89
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDH,J,L1RV00.98
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA2QWC0.98
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA2SIM0.98
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1IVF0.98
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1SLI0.98
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1MS10.98
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1USR0.98
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B,C,D2CEX0.98
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1MS00.98
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1W8N0.98
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1V3D0.98
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B2F270.98
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B2F290.98
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1W0O0.98
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1MZ60.98
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B,C1WCQ0.98
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1NSD0.98
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA2VW10.98
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1E8V0.98
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B2F250.98
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1Z500.98
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA2VK60.98
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1MS80.98
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B3H730.98
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1EUS0.98
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1F8B0.98
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA2HTW0.98
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1NNB0.98
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1Z4Z0.98
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B2VVZ0.98
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1N1V0.98
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B,C1USX0.98
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1Z4W0.98
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA,B1VCU0.98
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1N1T0.98
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA2HTR0.98
DAN2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACIDA1Z4V0.98
49A4,9-AMINO-2,4-DEOXY-2,3-DEHYDRO-
N-ACETYL-NEURAMINIC ACID
A1F8E0.89
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
H3SHEPARIN DISACCHARIDE III-SA,B1U4M0.74
9AM9-AMINO-2-DEOXY-2,3-DEHYDRO-N-ACETYL-
NEURAMINIC ACID
A1F8D0.92
CNP2-PROPENYL-N-ACETYL-NEURAMIC ACIDA4SLI0.72