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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01726803

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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,B1GPU0.78
VIB3-(4-AMINO-2-METHYL-PYRIMIDIN-5-
YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-
METHYL-THIAZOL-3-IUM
A,B2HH90.78
VIB3-(4-AMINO-2-METHYL-PYRIMIDIN-5-
YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-
METHYL-THIAZOL-3-IUM
A,B1SBR0.78
VIB3-(4-AMINO-2-METHYL-PYRIMIDIN-5-
YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-
METHYL-THIAZOL-3-IUM
A,B1IG00.78
VIB3-(4-AMINO-2-METHYL-PYRIMIDIN-5-
YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-
METHYL-THIAZOL-3-IUM
A,B1IG30.78
YF32-{[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]AMINO}PROPANE-1-THIOL
A,B1T9A0.74
YF32-{[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]AMINO}PROPANE-1-THIOL
A,B1T9B0.74
TPSTHIAMIN PHOSPHATEA,B3C9T0.73
TPSTHIAMIN PHOSPHATEA2HOM0.73
TPSTHIAMIN PHOSPHATEA,B1G4S0.73
TPSTHIAMIN PHOSPHATEA,B,C,D2QRY0.73
TPSTHIAMIN PHOSPHATEA,B2TPS0.73
YF45-{[ETHYL(METHYL)AMINO]METHYL}-
2-METHYL-5,6-DIHYDROPYRIMIDIN-4-
AMINE
A,B1T9A0.73
THYC2-1-HYDROXY-2-METHYL-BUTYL-THIAMIN DIPHOSPHATEA,B2BEV0.7
TPPTHIAMINE DIPHOSPHATEA2HOK0.73
TPPTHIAMINE DIPHOSPHATEA,B,C,D2VK80.73
TPPTHIAMINE DIPHOSPHATEA,B,C,D2AG10.73
TPPTHIAMINE DIPHOSPHATEA,B2PDA0.73
TPPTHIAMINE DIPHOSPHATEA,B1JSC0.73
TPPTHIAMINE DIPHOSPHATEA1BFD0.73
TPPTHIAMINE DIPHOSPHATEA,B2C3M0.73
TPPTHIAMINE DIPHOSPHATEA1Z8N0.73
TPPTHIAMINE DIPHOSPHATEA,B2JLC0.73
TPPTHIAMINE DIPHOSPHATEA,B2C3O0.73
TPPTHIAMINE DIPHOSPHATEA,B,C,D2VK40.73
TPPTHIAMINE DIPHOSPHATEA3E780.73
TPPTHIAMINE DIPHOSPHATEA,B,C,D2OZL0.73
TPPTHIAMINE DIPHOSPHATEA,B,C,D,E,F,
G,H
3EXF0.73
TPPTHIAMINE DIPHOSPHATEA,B1NGS0.73
TPPTHIAMINE DIPHOSPHATEA,B2Q270.73
TPPTHIAMINE DIPHOSPHATEA,B1POX0.73
TPPTHIAMINE DIPHOSPHATEA,B,C,D2IHV0.73
TPPTHIAMINE DIPHOSPHATEA,B,C1ITZ0.73
TPPTHIAMINE DIPHOSPHATEA,B1N0H0.73
TPPTHIAMINE DIPHOSPHATEA,B,C,D2IHT0.73
TPPTHIAMINE DIPHOSPHATEA,B,C,D2VK10.73
TPPTHIAMINE DIPHOSPHATEA2HOL0.73
TPPTHIAMINE DIPHOSPHATEB2VBF0.73
TPPTHIAMINE DIPHOSPHATEA,B,C,D,E,F,
G,H
3EXE0.73
TPPTHIAMINE DIPHOSPHATEA,B2Q280.73
TPPTHIAMINE DIPHOSPHATEA,B1QPB0.73
TPPTHIAMINE DIPHOSPHATEA2HOJ0.73
TPPTHIAMINE DIPHOSPHATEA,B2Q290.73
TPPTHIAMINE DIPHOSPHATEA,B1R9J0.73
TPPTHIAMINE DIPHOSPHATEA,B3C9U0.73
TPPTHIAMINE DIPHOSPHATEA,B1B0P0.73
TPPTHIAMINE DIPHOSPHATEA,B,C,D1UPA0.73
TPPTHIAMINE DIPHOSPHATEA,B,C,D,E,F,
G,H
2VBI0.73
TPPTHIAMINE DIPHOSPHATEA,B,C,D1NI40.73
TPPTHIAMINE DIPHOSPHATEA3E790.73
TPPTHIAMINE DIPHOSPHATEA,B3D2G0.73
TPPTHIAMINE DIPHOSPHATEA,B2JI80.73
TPPTHIAMINE DIPHOSPHATEA,B,C,D1UPB0.73
TPPTHIAMINE DIPHOSPHATEA,B,C,D2JLA0.73
TPPTHIAMINE DIPHOSPHATEA,B2PGO0.73
TPPTHIAMINE DIPHOSPHATEA,B1POW0.73
TPPTHIAMINE DIPHOSPHATEA,B2CKY0.73
TPPTHIAMINE DIPHOSPHATEA3EKI0.73
TPPTHIAMINE DIPHOSPHATEA,B2PGN0.73
TPPTHIAMINE DIPHOSPHATEA,B,C,D2VJY0.73
TPPTHIAMINE DIPHOSPHATEA,B,C,D2UZ10.73
TPPTHIAMINE DIPHOSPHATEA,B,C,D2W930.73
TPPTHIAMINE DIPHOSPHATEA,B1QGD0.73
TPPTHIAMINE DIPHOSPHATEA,B2EZ40.73
TPPTHIAMINE DIPHOSPHATEA,B2JIB0.73
TPPTHIAMINE DIPHOSPHATEA,B1AY00.73
TPPTHIAMINE DIPHOSPHATEA1V5F0.73
TPPTHIAMINE DIPHOSPHATEA,B,C,D1Y9D0.73
TPPTHIAMINE DIPHOSPHATEA,B1OZF0.73
TPPTHIAMINE DIPHOSPHATEA,B2C420.73
TPPTHIAMINE DIPHOSPHATEA,B,C,D,E,F1UPC0.73
TPPTHIAMINE DIPHOSPHATEA,B2R5N0.73
TPPTHIAMINE DIPHOSPHATEA,B1TRK0.73
TPPTHIAMINE DIPHOSPHATEA,B2NXW0.73
TPPTHIAMINE DIPHOSPHATEA,B,C,D2V3W0.73
TPPTHIAMINE DIPHOSPHATEA,B,C,D1OVM0.73
TPPTHIAMINE DIPHOSPHATEX,Y2GDI0.73
TPPTHIAMINE DIPHOSPHATEA,B,C,D2AG00.73
TPPTHIAMINE DIPHOSPHATEA,C,E,G3EXH0.73
TPPTHIAMINE DIPHOSPHATEA,B1PVD0.73
PF1N-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-N-(2-HYDROXYETHYL)FORMAMIDE
A,B2QCX0.75
VNP3-[(4-AMINO-2-METHYLPYRIMIDIN-5-
YL)METHYL]-5-(2-{[HYDROXY(PHOSPHONOAMINO)PHOSPHORYL]OXY}ETHYL)-
4-METHYL-1,3-THIAZOL-3-IUM
A,B2G9Z0.72
DPXMONO-{4-[(4-AMINO-2-METHYL-PYRIMIDIN-
5-YLMETHYL)-AMINO]-2-HYDROXY-3-
MERCAPTO-PENT-3-ENYL-PHOSPHONO} ESTER
A,B,E,F1ZPD0.78
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
THVC2-1-HYDROXY-3-METHYL-PROPYL-THIAMIN DIPHOSPHATEA,B,C,D2J9F0.71
THVC2-1-HYDROXY-3-METHYL-PROPYL-THIAMIN DIPHOSPHATEA,B2BEU0.71
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,B2G280.71
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,B2QTC0.71
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,B2EZ90.71
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,B2G250.71
TZD2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-4-METHYL-2-OXO-2,3-
DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE
A,B1RP70.76
TZD2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-4-METHYL-2-OXO-2,3-
DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE
A1PO70.76
TZD2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-4-METHYL-2-OXO-2,3-
DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE
A2FN30.76
TZD2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-4-METHYL-2-OXO-2,3-
DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE
A,B2BFF0.76
TZD2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-4-METHYL-2-OXO-2,3-
DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE
A,B2C310.76
TZD2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-4-METHYL-2-OXO-2,3-
DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE
A,B2BFC0.76
TZD2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-4-METHYL-2-OXO-2,3-
DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE
A1Q6Z0.76
TZD2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-4-METHYL-2-OXO-2,3-
DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE
A1PI30.76
TZD2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]-4-METHYL-2-OXO-2,3-
DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE
A1YNO0.76
TDPTHIAMIN DIPHOSPHATEA,B,C,D,E,F2PAN0.73
TDPTHIAMIN DIPHOSPHATEA,B1OLX0.73
TDPTHIAMIN DIPHOSPHATEA,B1X7Z0.73
TDPTHIAMIN DIPHOSPHATEA,B1V110.73
TDPTHIAMIN DIPHOSPHATEA,B2BFB0.73
TDPTHIAMIN DIPHOSPHATEA,B1PYD0.73
TDPTHIAMIN DIPHOSPHATEA,B1OLS0.73
TDPTHIAMIN DIPHOSPHATEA,B1OLU0.73
TDPTHIAMIN DIPHOSPHATEA,B1V1M0.73
TDPTHIAMIN DIPHOSPHATEA,B1X7W0.73
TDPTHIAMIN DIPHOSPHATEA,B,C,D2O1X0.73
TDPTHIAMIN DIPHOSPHATEA,B2QTA0.73
TDPTHIAMIN DIPHOSPHATEA,C,E,G1W880.73
TDPTHIAMIN DIPHOSPHATEA2FWN0.73
TDPTHIAMIN DIPHOSPHATEA,B3EY90.73
TDPTHIAMIN DIPHOSPHATEA,B,C,D2O1S0.73
TDPTHIAMIN DIPHOSPHATEA,B1DTW0.73
TDPTHIAMIN DIPHOSPHATEA,B1X7Y0.73
TDPTHIAMIN DIPHOSPHATEA,B1X7X0.73
TDPTHIAMIN DIPHOSPHATEA,B1U5B0.73
TDPTHIAMIN DIPHOSPHATEA,C1UMD0.73
TDPTHIAMIN DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1MCZ0.73
TDPTHIAMIN DIPHOSPHATEA,B2BFE0.73
TDPTHIAMIN DIPHOSPHATEA,C,D1UMC0.73
TDPTHIAMIN DIPHOSPHATEA,B,C,D,E,F,
G,H
1W850.73
TDPTHIAMIN DIPHOSPHATEA,B1X800.73
TDPTHIAMIN DIPHOSPHATEA,C1UMB0.73
TDPTHIAMIN DIPHOSPHATEA,B1V160.73
TDPTHIAMIN DIPHOSPHATEA,B1QS00.73
TDPTHIAMIN DIPHOSPHATEA,B1L8A0.73
TDPTHIAMIN DIPHOSPHATEA,B2BFD0.73
TDPTHIAMIN DIPHOSPHATEA,B,C,D,E,F,
G,H,I,J,K,L
3EYA0.73
TDPTHIAMIN DIPHOSPHATEA,B2IEA0.73
MTH2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-
7-YL)-5-METHYLSULFANYLMETHYL-TETRAHYDRO-
FURAN-3,4-DIOL
A,B2QTG0.7
MTH2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-
7-YL)-5-METHYLSULFANYLMETHYL-TETRAHYDRO-
FURAN-3,4-DIOL
A,B1NC10.7
MTH2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-
7-YL)-5-METHYLSULFANYLMETHYL-TETRAHYDRO-
FURAN-3,4-DIOL
A1SD20.7
WWFC2-1-HYDROXY-3-METHYL-BUTYL-THIAMINA,B1WCI0.72
AYDA,B1N0H0.76
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,B2EZT0.8
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
A3E9Y0.8
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
A3EA40.8
FTP3-(4-AMINO-2-TRIFLUOROMETHYL-PYRIMIDIN-
5-YLMETHYL)-4-METHYL-5-(2-PHOSPHONATOOXY-
ETHYL)-THIAZOL-3-IUM
A,B1G4T0.7
HMH4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRIMIDINEA,B1JXI0.74
HMH4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRIMIDINEA,B1TO90.74
HMH4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRIMIDINEA,B2Q4X0.74
HMH4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRIMIDINEA,B3EPM0.74
HMH4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRIMIDINEA,B,C,D1YAK0.74
HMH4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRIMIDINEA,B,C,D2GM80.74
HMH4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRIMIDINEA,B2F2G0.74
TP9(3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-
5-YL)METHYL]AMINO}-3-MERCAPTOPENT-
3-EN-1-YL TRIHYDROGEN DIPHOSPHATE
A,B,C,D2IHU0.79
HE32-HYDROXYETHYL DIHYDROTHIACHROME DIPHOSPHATEA,B1OZG0.74
HE32-HYDROXYETHYL DIHYDROTHIACHROME DIPHOSPHATEA,B,C,D1OZH0.74
2TP2-(3-{[4-(HYDROXYAMINO)-2-METHYLPYRIMIDIN-
5-YL]METHYL}-4-METHYL-2,3-DIHYDRO-
1,3-THIAZOL-5-YL)ETHYL TRIHYDROGEN DIPHOSPHATE
A,B2C3U0.71