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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00755148

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DQA1,3,4-TRIHYDROXY-5-OXO-CYCLOHEXANECARBOXYLIC ACIDA1J2Y0.93
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID		A,B1XAI0.84
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID		A,B1NVD0.84
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID		A1XAG0.84
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID		A,B1NR50.84
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID		A,B1XAJ0.84
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID		A,B1XAL0.84
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID		A,B1DQS0.84
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID		A,B1NVB0.84
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID		A,B,C1NVF0.84
FA63-HYDROXYIMINO QUINIC ACIDA1H0S0.84
SSH3-DEOXY-D-ARABINO-HEXONIC ACIDA,B,C,D1W3N0.81
RSH3-DEOXY-D-LYXO-HEXONIC ACIDA,B,C,D1W3T0.81
1N5(2R,4S)-2,4,7-trihydroxyheptanoic acidA,B3CXO0.79
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.79
GCOGLUCONIC ACIDB,C,D1BGG0.78
GCOGLUCONIC ACIDA,B1XLF0.78
CS2D-MANNONIC ACIDA,B,C,D2QJM0.78
CS2D-MANNONIC ACIDA,B3DBN0.78
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.78
GKRD-GLUCARATEA3CXT0.77
GKRD-GLUCARATEA,B1JCT0.77
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.77
LGTL-GLUCARIC ACIDA,B,C,D3CB30.77
LGTL-GLUCARIC ACIDA,B,C2PP30.77
KDG2-KETO-3-DEOXYGLUCONATEA,B1V1A0.77
KDG2-KETO-3-DEOXYGLUCONATEA,B,C2VAR0.77
KDG2-KETO-3-DEOXYGLUCONATEA,B,C,D2QJN0.77
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID		A1RWG0.76
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID		A1RWF0.76
GCT4,5-DIHYDROXY-TETRAHYDRO-PYRAN-
2-CARBOXYLIC ACID		A1RWH0.76
FKD2,6-ANHYDRO-3-DEOXY-3-FLUORO-L-
ARABINO-D-GALACTO-NONONIC ACID		A2AGS0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C1Q9W0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DUV0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUS0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QJQ0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9R0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QFF0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA2FCP0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9Q0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DV40.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3FXI0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2R2B0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1FCP0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1FI10.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUU0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9V0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QFG0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA1QKC0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B,C,D3DUR0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2R1Y0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B1Q9T0.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B3DV60.75
KDO3-DEOXY-D-MANNO-OCT-2-ULOSONIC ACIDA,B2GRX0.75
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE		M1E6X0.75
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE		A,B2E400.75
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE		A2VWG0.75
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE		A,B3EQO0.75
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.75
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.75
I1N(2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONEA,B2IBN0.75
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D,E,F,
G,H		1M1N0.74
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D,E,G,
I,J,K,L,N,P		1M1Y0.74
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D,E,F,
G,H		1G210.74
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D1QGU0.74
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDB,D1MIO0.74
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		2AFI0.74
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D1QH80.74
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P		1M340.74
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D1FP40.74
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C2MIN0.74
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D,E,G1G200.74
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D,E,F,
G,H		1N2C0.74
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D,E,F,
G,H		2AFK0.74
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D1QH10.74
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D3MIN0.74
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D,E2AFH0.74
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1EC80.73
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1JDF0.73
GC12,6-ANHYDRO-L-GULONIC ACIDA1HUA0.73
KO1D-glycero-alpha-D-talo-oct-2-ulopyranosonic acidA,B2R230.72
1NT(2R,4R,5R,6R,7R)-2,4,5,6,7-PENTAHYDROXY-
2,8-BIS(PHOSPHONOOXY)OCTANOIC ACID		A,B2NXG0.72
1NT(2R,4R,5R,6R,7R)-2,4,5,6,7-PENTAHYDROXY-
2,8-BIS(PHOSPHONOOXY)OCTANOIC ACID		A,B,C,D,E,F,
G,H,I,J,K,L		2NX30.72
ICTISOCITRIC ACIDA1IDE0.71
ICTISOCITRIC ACIDA,B2UXR0.71
ICTISOCITRIC ACIDA,B1XKD0.71
ICTISOCITRIC ACIDA8ICD0.71
ICTISOCITRIC ACIDA,B,D1XG40.71
ICTISOCITRIC ACIDA1CW70.71
ICTISOCITRIC ACIDA1GRO0.71
ICTISOCITRIC ACIDA1W8G0.71
ICTISOCITRIC ACIDA5ICD0.71
ICTISOCITRIC ACIDA,B1LWD0.71
ICTISOCITRIC ACIDA,B,C,D1ITW0.71
ICTISOCITRIC ACIDA,B,C,D1T0L0.71
ICTISOCITRIC ACIDA1PB10.71
ICTISOCITRIC ACIDA1GRP0.71
ICTISOCITRIC ACIDA1CW10.71
ICTISOCITRIC ACIDA,B,C,D,E,F2QFW0.71
ICTISOCITRIC ACIDA1B0J0.71
ICTISOCITRIC ACIDA1W7F0.71
ICTISOCITRIC ACIDA7ACN0.71
ICTISOCITRIC ACIDA1C970.71
ICTISOCITRIC ACIDA1P8F0.71
ICTISOCITRIC ACIDA2CSG0.71
KD03-deoxy-8-O-phosphono-D-manno-oct-
2-ulosonic acid		A,B3E120.71
YLL(1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-
1,2,3,4,5-PENTOL		A,B2JAL0.71
KDF3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acidA,B,C2VAR0.71
GC44-DEOXY-D-GLUCURONIC ACIDA1I8Q0.71
GC44-DEOXY-D-GLUCURONIC ACIDA1C4S0.71
GC44-DEOXY-D-GLUCURONIC ACIDA1DBO0.71
GLOD-GLUCOSE IN LINEAR FORMA,B1XYB0.7
GLOD-GLUCOSE IN LINEAR FORMA1FQD0.7
GLOD-GLUCOSE IN LINEAR FORMA,B1XYM0.7
GLOD-GLUCOSE IN LINEAR FORMA,B1EZ90.7
GLOD-GLUCOSE IN LINEAR FORMA1FBO0.7
GLOD-GLUCOSE IN LINEAR FORMA1AC00.7
GLOD-GLUCOSE IN LINEAR FORMA1FQC0.7
AOSD-ALLOSEA,B,C,D2I570.7
DNOD-mannoseA3BDK0.7