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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02813752

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
D2X3-[(4-hydroxy-2-methylpyrimidin-
5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-
4-methyl-1,3-thiazol-3-ium
A,B3D2X0.88
HE32-HYDROXYETHYL DIHYDROTHIACHROME DIPHOSPHATEA,B1OZG0.71
HE32-HYDROXYETHYL DIHYDROTHIACHROME DIPHOSPHATEA,B,C,D1OZH0.71
2TP2-(3-{[4-(HYDROXYAMINO)-2-METHYLPYRIMIDIN-
5-YL]METHYL}-4-METHYL-2,3-DIHYDRO-
1,3-THIAZOL-5-YL)ETHYL TRIHYDROGEN DIPHOSPHATE
A,B2C3U0.96
TDM2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-
4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-
5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE
A,B2EZT0.78
TDM2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-
4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-
5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE
A3E9Y0.78
TDM2-[(2E)-3-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-2-(1-HYDROXYETHYLIDENE)-
4-METHYL-2,3-DIHYDRO-1,3-THIAZOL-
5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE
A3EA40.78
TDPTHIAMIN DIPHOSPHATEA,B,C,D,E,F2PAN0.99
TDPTHIAMIN DIPHOSPHATEA,B1OLX0.99
TDPTHIAMIN DIPHOSPHATEA,B1X7Z0.99
TDPTHIAMIN DIPHOSPHATEA,B1V110.99
TDPTHIAMIN DIPHOSPHATEA,B2BFB0.99
TDPTHIAMIN DIPHOSPHATEA,B1PYD0.99
TDPTHIAMIN DIPHOSPHATEA,B1OLS0.99
TDPTHIAMIN DIPHOSPHATEA,B1OLU0.99
TDPTHIAMIN DIPHOSPHATEA,B1V1M0.99
TDPTHIAMIN DIPHOSPHATEA,B1X7W0.99
TDPTHIAMIN DIPHOSPHATEA,B,C,D2O1X0.99
TDPTHIAMIN DIPHOSPHATEA,B2QTA0.99
TDPTHIAMIN DIPHOSPHATEA,C,E,G1W880.99
TDPTHIAMIN DIPHOSPHATEA2FWN0.99
TDPTHIAMIN DIPHOSPHATEA,B3EY90.99
TDPTHIAMIN DIPHOSPHATEA,B,C,D2O1S0.99
TDPTHIAMIN DIPHOSPHATEA,B1DTW0.99
TDPTHIAMIN DIPHOSPHATEA,B1X7Y0.99
TDPTHIAMIN DIPHOSPHATEA,B1X7X0.99
TDPTHIAMIN DIPHOSPHATEA,B1U5B0.99
TDPTHIAMIN DIPHOSPHATEA,C1UMD0.99
TDPTHIAMIN DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.99
TDPTHIAMIN DIPHOSPHATEA,B2BFE0.99
TDPTHIAMIN DIPHOSPHATEA,C,D1UMC0.99
TDPTHIAMIN DIPHOSPHATEA,B,C,D,E,F,
G,H
1W850.99
TDPTHIAMIN DIPHOSPHATEA,B1X800.99
TDPTHIAMIN DIPHOSPHATEA,C1UMB0.99
TDPTHIAMIN DIPHOSPHATEA,B1V160.99
TDPTHIAMIN DIPHOSPHATEA,B1QS00.99
TDPTHIAMIN DIPHOSPHATEA,B1L8A0.99
TDPTHIAMIN DIPHOSPHATEA,B2BFD0.99
TDPTHIAMIN DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L
3EYA0.99
TDPTHIAMIN DIPHOSPHATEA,B2IEA0.99
DPXMONO-{4-[(4-AMINO-2-METHYL-PYRIMIDIN-
5-YLMETHYL)-AMINO]-2-HYDROXY-3-
MERCAPTO-PENT-3-ENYL-PHOSPHONO} ESTER
A,B,E,F1ZPD0.7
1TP1-(2-{(2S,4R,5R)-3-[(4-AMINO-2-
METHYLPYRIMIDIN-5-YL)METHYL]-2-
[(1S)-1-CARBOXY-1-HYDROXYETHYL]-
4-METHYL-1,3-THIAZOLIDIN-5-YL}ETHOXY)-
1,1,3,3-TETRAHYDROXY-1LAMBDA~5~-
DIPHOSPHOX-1-EN-2-IUM 3-OXIDE
A,B2C3P0.71
T6F2-C-{3-[(4-amino-2-methylpyrimidin-
5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-
4-methyl-1,3-thiazol-3-ium-2-yl}-
6-O-phosphono-D-glucitol
A,B2R8P0.82
AYDA,B1N0H0.72
THD2-[3-[(4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL]-
2-(1,2-DIHYDROXYETHYL)-4-METHYL-
1,3-THIAZOL-3-IUM-5-YL]ETHYL TRIHYDROGEN DIPHOSPHATE
A,B1GPU0.76
TDL3-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-2-(1-CARBOXY-1-HYDROXYETHYL)-
5-(2-{[HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-
4-METHYL-1,3-THIAZOL-3-IUM
A,B2EZ80.86
M6TA,B1TKC0.92
HTL2-ACETYL-THIAMINE DIPHOSPHATEA,B2EZU0.92
HTL2-ACETYL-THIAMINE DIPHOSPHATEA,B2C3Y0.92
HTL2-ACETYL-THIAMINE DIPHOSPHATEA1V5G0.92
HTL2-ACETYL-THIAMINE DIPHOSPHATEA,B2UZA0.92
HTL2-ACETYL-THIAMINE DIPHOSPHATEA,B1KEK0.92
TDK3-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-2-{(1S)-1-HYDROXY-1-
[(R)-HYDROXY(METHOXY)PHOSPHORYL]ETHYL}-
5-(2-{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-
4-METHYL-1,3-THIAZOL-3-IUM
A,B2G280.93
TDK3-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-2-{(1S)-1-HYDROXY-1-
[(R)-HYDROXY(METHOXY)PHOSPHORYL]ETHYL}-
5-(2-{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-
4-METHYL-1,3-THIAZOL-3-IUM
A,B2QTC0.93
TDK3-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-2-{(1S)-1-HYDROXY-1-
[(R)-HYDROXY(METHOXY)PHOSPHORYL]ETHYL}-
5-(2-{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-
4-METHYL-1,3-THIAZOL-3-IUM
A,B2EZ90.93
TDK3-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-2-{(1S)-1-HYDROXY-1-
[(R)-HYDROXY(METHOXY)PHOSPHORYL]ETHYL}-
5-(2-{[(S)-HYDROXY(PHOSPHONOOXY)PHOSPHORYL]OXY}ETHYL)-
4-METHYL-1,3-THIAZOL-3-IUM
A,B2G250.93
D7K3-[(4-amino-2-methylpyrimidin-5-
yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-
5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-
4-methyl-1,3-thiazol-3-ium
A,B,C,D3FZN0.75
D7K3-[(4-amino-2-methylpyrimidin-5-
yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-
5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-
4-methyl-1,3-thiazol-3-ium
A,B3D7K0.75
D7K3-[(4-amino-2-methylpyrimidin-5-
yl)methyl]-2-{(S)-hydroxy[(R)-hydroxy(methoxy)phosphoryl]phenylmethyl}-
5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-
4-methyl-1,3-thiazol-3-ium
X3FSJ0.75
N3TA,B1TKA0.72
T5X2-C-{3-[(4-amino-2-methylpyrimidin-
5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-
4-methyl-1,3-thiazol-3-ium-2-yl}-
5-O-phosphono-D-xylitol
A,B2R8O0.85
N1TA,B1TKB0.76
FTP3-(4-AMINO-2-TRIFLUOROMETHYL-PYRIMIDIN-
5-YLMETHYL)-4-METHYL-5-(2-PHOSPHONATOOXY-
ETHYL)-THIAZOL-3-IUM
A,B1G4T0.97
8PA3-[(4-amino-2-methylpyrimidin-5-
yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-
2-[(1S,2E)-1-hydroxy-3-pyridin-
3-ylprop-2-en-1-yl]-4-methyl-1,3-
thiazol-3-ium
X3F6E0.77
8PA3-[(4-amino-2-methylpyrimidin-5-
yl)methyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-
2-[(1S,2E)-1-hydroxy-3-pyridin-
3-ylprop-2-en-1-yl]-4-methyl-1,3-
thiazol-3-ium
X3F6B0.77