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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03091821

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
I22D-ALTRO-HEPT-2-ULOSE 7-PHOSPHATEB2I220.76
3MF3-O-METHYLFRUCTOSE IN LINEAR FORMA,B1XYC0.73
FA63-HYDROXYIMINO QUINIC ACIDA1H0S0.75
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID
A,B1XAI0.75
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID
A,B1NVD0.75
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID
A1XAG0.75
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID
A,B1NR50.75
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID
A,B1XAJ0.75
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID
A,B1XAL0.75
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID
A,B1DQS0.75
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID
A,B1NVB0.75
CRB[1R-(1ALPHA,3BETA,4ALPHA,5BETA)]-
5-(PHOSPHONOMETHYL)-1,3,4-TRIHYDROXYCYCLOHEXANE-
1-CARBOXYLIC ACID
A,B,C1NVF0.75
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.72
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
M1E6X0.73
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B2E400.73
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A2VWG0.73
LGC(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-
6-(HYDROXYMETHYL)TETRAHYDRO-2H-
PYRAN-2-ONE
A,B3EQO0.73
LFC6-DEOXY-L-GALACTONIC ACIDA2HXU0.75
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D,E,F,
G,H
1M1N0.72
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D,E,G,
I,J,K,L,N,P
1M1Y0.72
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D,E,F,
G,H
1G210.72
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D1QGU0.72
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDB,D1MIO0.72
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
2AFI0.72
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D1QH80.72
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1M340.72
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D1FP40.72
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C2MIN0.72
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D,E,G1G200.72
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D,E,F,
G,H
1N2C0.72
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D,E,F,
G,H
2AFK0.72
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D1QH10.72
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D3MIN0.72
HCA3-HYDROXY-3-CARBOXY-ADIPIC ACIDA,B,C,D,E2AFH0.72
RSH3-DEOXY-D-LYXO-HEXONIC ACIDA,B,C,D1W3T0.73
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.76
GKRD-GLUCARATEA3CXT0.75
GKRD-GLUCARATEA,B1JCT0.75
GLOD-GLUCOSE IN LINEAR FORMA,B1XYB0.78
GLOD-GLUCOSE IN LINEAR FORMA1FQD0.78
GLOD-GLUCOSE IN LINEAR FORMA,B1XYM0.78
GLOD-GLUCOSE IN LINEAR FORMA,B1EZ90.78
GLOD-GLUCOSE IN LINEAR FORMA1FBO0.78
GLOD-GLUCOSE IN LINEAR FORMA1AC00.78
GLOD-GLUCOSE IN LINEAR FORMA1FQC0.78
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.73
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.73
AOSD-ALLOSEA,B,C,D2I570.78
LGTL-GLUCARIC ACIDA,B,C,D3CB30.75
LGTL-GLUCARIC ACIDA,B,C2PP30.75
GCOGLUCONIC ACIDB,C,D1BGG0.76
GCOGLUCONIC ACIDA,B1XLF0.76
DNOD-mannoseA3BDK0.78
GC12,6-ANHYDRO-L-GULONIC ACIDA1HUA0.72
I1N(2S,3R,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXANONEA,B2IBN0.86
FUDD-fructoseA,B,C,D2QUN0.79
CS2D-MANNONIC ACIDA,B,C,D2QJM0.76
CS2D-MANNONIC ACIDA,B3DBN0.76
RNSL-RHAMNOSEA,B,C,D1X8D0.71
RNSL-RHAMNOSEA,B,C,D1DE60.71
RNSL-RHAMNOSEA,B,C,D2I560.71
DQA1,3,4-TRIHYDROXY-5-OXO-CYCLOHEXANECARBOXYLIC ACIDA1J2Y0.92
TAGD-tagatoseA,B,C,D2QUM0.79
YLL(1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-
1,2,3,4,5-PENTOL
A,B2JAL0.72
KDG2-KETO-3-DEOXYGLUCONATEA,B1V1A0.78
KDG2-KETO-3-DEOXYGLUCONATEA,B,C2VAR0.78
KDG2-KETO-3-DEOXYGLUCONATEA,B,C,D2QJN0.78
SSH3-DEOXY-D-ARABINO-HEXONIC ACIDA,B,C,D1W3N0.73
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1EC80.74
GLR2,3-DIHYDROXY-5-OXO-HEXANEDIOATEA,B,C,D1JDF0.74