MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00458426

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
MBN	TOLUENE	A,B	3D7O	0.7
MBN	TOLUENE	A,B	1R1X	0.7
MBN	TOLUENE	A,B	1JLX	0.7
MBN	TOLUENE	A,B,C,D	3D17	0.7
MBN	TOLUENE	A,B	2VRL	0.7
MBN	TOLUENE	A,I	2Z3E	0.7
MBN	TOLUENE	A,B	1YZI	0.7
MBN	TOLUENE	A,B	2DN1	0.7
MBN	TOLUENE	A,B	3EN1	0.7
SEH	S-BENZYL PHENYLACETOTHIOHYDROXIMATE- O-SULFATE	M	1W9D	0.74
PYL	PHENYLETHANE	C	1B07	0.71
PYL	PHENYLETHANE	A,B	2VRM	0.71
PYL	PHENYLETHANE	A	1NHB	0.71
N4B	N-BUTYLBENZENE	A	186L	0.71
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	A	1OS0	0.71
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	E,I	4TMN	0.71
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	S	1CGH	0.71
2HR	HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS1	0.76
PTF	[(METHYLSULFANYL)METHYL]BENZENE	C,F	1RHQ	0.82
PXY	PARA-XYLENE	A	187L	0.71
PXY	PARA-XYLENE	A	225L	0.71
2HS	HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS2	0.76
I4B	ISOBUTYLBENZENE	A	184L	0.71
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1DPM	0.79
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6B	0.79
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1PSC	0.79
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	3E3H	0.79
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1QW7	0.79
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6C	0.79
HZH	1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan- 2-one	A,B	3DEA	0.74
FPR	PROPYLBENZENE	C	1RHK	0.71
FEP	[(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)- PHENYL]-BUTYL}-PHENYL)-DIFLUORO- METHYL]-PHOSPHONIC ACID	A	1KAV	0.7
IBZ	2-IODOBENZYLTHIO GROUP	A,B	1CEL	0.71
B70	tripotassium (1R)-4-biphenyl-4- yl-1-phosphonatobutane-1-sulfonate	A	2ZCS	0.76
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.73
PMS	BENZYLSULFINIC ACID	B	1PNM	0.75
PMS	BENZYLSULFINIC ACID	A,B	1SH7	0.75
PMS	BENZYLSULFINIC ACID	B,C	1BB0	0.75
PMS	BENZYLSULFINIC ACID	A,B	1S2N	0.75
PMS	BENZYLSULFINIC ACID	A,B	1WB8	0.75
PMS	BENZYLSULFINIC ACID	A,B,C	3CE4	0.75
PMS	BENZYLSULFINIC ACID	A,B	1Y9Z	0.75
PMS	BENZYLSULFINIC ACID	A	3H18	0.75
PMS	BENZYLSULFINIC ACID	A	3H17	0.75
PMS	BENZYLSULFINIC ACID	A	2CBG	0.75
PMS	BENZYLSULFINIC ACID	A	1SUP	0.75
PMS	BENZYLSULFINIC ACID	A,B	1V6C	0.75
PMS	BENZYLSULFINIC ACID	A,B	1WPR	0.75
PMS	BENZYLSULFINIC ACID	A,B	1EQ9	0.75
PMS	BENZYLSULFINIC ACID	A,B	1AUR	0.75
PMS	BENZYLSULFINIC ACID	A	1KLT	0.75
PMS	BENZYLSULFINIC ACID	B,C	1CA8	0.75
PMS	BENZYLSULFINIC ACID	A	2GKO	0.75
PMS	BENZYLSULFINIC ACID	B,C,D	1BA8	0.75
787	(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACID	A	1O4R	0.8
B69		A	2ZCR	0.77