MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03449155

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

Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
T6F	2-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,B	2R8P	0.79
2TP	2-(3-{[4-(HYDROXYAMINO)-2-METHYLPYRIMIDIN- 5-YL]METHYL}-4-METHYL-2,3-DIHYDRO- 1,3-THIAZOL-5-YL)ETHYL TRIHYDROGEN DIPHOSPHATE	A,B	2C3U	0.93
N1T		A,B	1TKB	0.74
TDK	3-[(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,B	2G28	0.9
TDK	3-[(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,B	2QTC	0.9
TDK	3-[(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,B	2EZ9	0.9
TDK	3-[(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,B	2G25	0.9
THV	C2-1-HYDROXY-3-METHYL-PROPYL-THIAMIN DIPHOSPHATE	A,B,C,D	2J9F	0.88
THV	C2-1-HYDROXY-3-METHYL-PROPYL-THIAMIN DIPHOSPHATE	A,B	2BEU	0.88
THD	2-[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,B	1GPU	0.73
THW	C2-1-HYDROXYPHENYL-THIAMIN DIPHOSPHATE	A,B	2BEW	0.74
TDL	3-[(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,B	2EZ8	0.83
TP9	(3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN- 5-YL)METHYL]AMINO}-3-MERCAPTOPENT- 3-EN-1-YL TRIHYDROGEN DIPHOSPHATE	A,B,C,D	2IHU	0.72
T5X	2-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,B	2R8O	0.82
TDM	2-[(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,B	2EZT	0.76
TDM	2-[(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	3E9Y	0.76
TDM	2-[(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	3EA4	0.76
M6T		A,B	1TKC	0.89
8PA	3-[(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	X	3F6E	0.74
8PA	3-[(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	X	3F6B	0.74
HTL	2-ACETYL-THIAMINE DIPHOSPHATE	A,B	2EZU	0.89
HTL	2-ACETYL-THIAMINE DIPHOSPHATE	A,B	2C3Y	0.89
HTL	2-ACETYL-THIAMINE DIPHOSPHATE	A	1V5G	0.89
HTL	2-ACETYL-THIAMINE DIPHOSPHATE	A,B	2UZA	0.89
HTL	2-ACETYL-THIAMINE DIPHOSPHATE	A,B	1KEK	0.89
THY	C2-1-HYDROXY-2-METHYL-BUTYL-THIAMIN DIPHOSPHATE	A,B	2BEV	0.87
D7K	3-[(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,D	3FZN	0.73
D7K	3-[(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	3D7K	0.73
D7K	3-[(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	X	3FSJ	0.73
FTP	3-(4-AMINO-2-TRIFLUOROMETHYL-PYRIMIDIN- 5-YLMETHYL)-4-METHYL-5-(2-PHOSPHONATOOXY- ETHYL)-THIAZOL-3-IUM	A,B	1G4T	1
D2X	3-[(4-hydroxy-2-methylpyrimidin- 5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)- 4-methyl-1,3-thiazol-3-ium	A,B	3D2X	0.85
TDP	THIAMIN DIPHOSPHATE	A,B,C,D,E,F	2PAN	0.95
TDP	THIAMIN DIPHOSPHATE	A,B	1OLX	0.95
TDP	THIAMIN DIPHOSPHATE	A,B	1X7Z	0.95
TDP	THIAMIN DIPHOSPHATE	A,B	1V11	0.95
TDP	THIAMIN DIPHOSPHATE	A,B	2BFB	0.95
TDP	THIAMIN DIPHOSPHATE	A,B	1PYD	0.95
TDP	THIAMIN DIPHOSPHATE	A,B	1OLS	0.95
TDP	THIAMIN DIPHOSPHATE	A,B	1OLU	0.95
TDP	THIAMIN DIPHOSPHATE	A,B	1V1M	0.95
TDP	THIAMIN DIPHOSPHATE	A,B	1X7W	0.95
TDP	THIAMIN DIPHOSPHATE	A,B,C,D	2O1X	0.95
TDP	THIAMIN DIPHOSPHATE	A,B	2QTA	0.95
TDP	THIAMIN DIPHOSPHATE	A,C,E,G	1W88	0.95
TDP	THIAMIN DIPHOSPHATE	A	2FWN	0.95
TDP	THIAMIN DIPHOSPHATE	A,B	3EY9	0.95
TDP	THIAMIN DIPHOSPHATE	A,B,C,D	2O1S	0.95
TDP	THIAMIN DIPHOSPHATE	A,B	1DTW	0.95
TDP	THIAMIN DIPHOSPHATE	A,B	1X7Y	0.95
TDP	THIAMIN DIPHOSPHATE	A,B	1X7X	0.95
TDP	THIAMIN DIPHOSPHATE	A,B	1U5B	0.95
TDP	THIAMIN DIPHOSPHATE	A,C	1UMD	0.95
TDP	THIAMIN DIPHOSPHATE	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MCZ	0.95
TDP	THIAMIN DIPHOSPHATE	A,B	2BFE	0.95
TDP	THIAMIN DIPHOSPHATE	A,C,D	1UMC	0.95
TDP	THIAMIN DIPHOSPHATE	A,B,C,D,E,F, G,H	1W85	0.95
TDP	THIAMIN DIPHOSPHATE	A,B	1X80	0.95
TDP	THIAMIN DIPHOSPHATE	A,C	1UMB	0.95
TDP	THIAMIN DIPHOSPHATE	A,B	1V16	0.95
TDP	THIAMIN DIPHOSPHATE	A,B	1QS0	0.95
TDP	THIAMIN DIPHOSPHATE	A,B	1L8A	0.95
TDP	THIAMIN DIPHOSPHATE	A,B	2BFD	0.95
TDP	THIAMIN DIPHOSPHATE	A,B,C,D,E,F, G,H,I,J,K,L	3EYA	0.95
TDP	THIAMIN DIPHOSPHATE	A,B	2IEA	0.95
N3T		A,B	1TKA	0.7