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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
GKRD-GLUCARATEA3CXT0.77
GKRD-GLUCARATEA,B1JCT0.77
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
FKD2,6-ANHYDRO-3-DEOXY-3-FLUORO-L-
ARABINO-D-GALACTO-NONONIC ACID		A2AGS0.75
FA63-HYDROXYIMINO QUINIC ACIDA1H0S0.84
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
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
GCOGLUCONIC ACIDB,C,D1BGG0.78
GCOGLUCONIC ACIDA,B1XLF0.78
SSH3-DEOXY-D-ARABINO-HEXONIC ACIDA,B,C,D1W3N0.81
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
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.77
CS2D-MANNONIC ACIDA,B,C,D2QJM0.78
CS2D-MANNONIC ACIDA,B3DBN0.78
KO1D-glycero-alpha-D-talo-oct-2-ulopyranosonic acidA,B2R230.72
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
KD03-deoxy-8-O-phosphono-D-manno-oct-
2-ulosonic acid		A,B3E120.71
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.75
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.75
YLL(1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-
1,2,3,4,5-PENTOL		A,B2JAL0.71
1N5(2R,4S)-2,4,7-trihydroxyheptanoic acidA,B3CXO0.79
KDF3-deoxy-alpha-D-erythro-hex-2-ulofuranosonic acidA,B,C2VAR0.71
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
GC44-DEOXY-D-GLUCURONIC ACIDA1I8Q0.71
GC44-DEOXY-D-GLUCURONIC ACIDA1C4S0.71
GC44-DEOXY-D-GLUCURONIC ACIDA1DBO0.71
AOSD-ALLOSEA,B,C,D2I570.7
RSH3-DEOXY-D-LYXO-HEXONIC ACIDA,B,C,D1W3T0.81
DNOD-mannoseA3BDK0.7
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1EC80.73
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1JDF0.73
DQA1,3,4-TRIHYDROXY-5-OXO-CYCLOHEXANECARBOXYLIC ACIDA1J2Y0.93
LGTL-GLUCARIC ACIDA,B,C,D3CB30.77
LGTL-GLUCARIC ACIDA,B,C2PP30.77
GC12,6-ANHYDRO-L-GULONIC ACIDA1HUA0.73
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.79
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.78
KDG2-KETO-3-DEOXYGLUCONATEA,B1V1A0.77
KDG2-KETO-3-DEOXYGLUCONATEA,B,C2VAR0.77
KDG2-KETO-3-DEOXYGLUCONATEA,B,C,D2QJN0.77
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
I1N(2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONEA,B2IBN0.75