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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00755149

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
GCOGLUCONIC ACIDB,C,D1BGG0.78
GCOGLUCONIC ACIDA,B1XLF0.78
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
CS2D-MANNONIC ACIDA,B,C,D2QJM0.78
CS2D-MANNONIC ACIDA,B3DBN0.78
149D-GALCTOPYRANOSYL-1-ONA,B,C,D1JZ50.75
149D-GALCTOPYRANOSYL-1-ONA,B,C,D3CZJ0.75
1N5(2R,4S)-2,4,7-trihydroxyheptanoic acidA,B3CXO0.79
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
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
GC12,6-ANHYDRO-L-GULONIC ACIDA1HUA0.73
3LR3,6-dideoxy-L-arabino-hexonic acidA,B3CXO0.79
DXG4-DEOXYGLUCARATEA,B,C,D1ECQ0.78
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