MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00446438

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
I4B	ISOBUTYLBENZENE	A	184L	0.72
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.8
NPY	NAPHTHALENE	A,B	1O7G	0.73
FPR	PROPYLBENZENE	C	1RHK	0.74
CVB	4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID	A,B	1KE0	0.7
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.72
SB7	[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL	A	2AI7	0.72
SB7	[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL	A,B,C	2AI8	0.72
2HS	HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS2	0.75
2HR	HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS1	0.75
B28		A,B	2E9A	0.7
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE6	0.71
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE8	0.71
TCA	PHENYLETHYLENECARBOXYLIC ACID	A,B,C,D,E,F, G,H	2O78	0.71
FEP	[(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)- PHENYL]-BUTYL}-PHENYL)-DIFLUORO- METHYL]-PHOSPHONIC ACID	A	1KAV	0.76
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.8
MBN	TOLUENE	A,B	3D7O	0.74
MBN	TOLUENE	A,B	1R1X	0.74
MBN	TOLUENE	A,B	1JLX	0.74
MBN	TOLUENE	A,B,C,D	3D17	0.74
MBN	TOLUENE	A,B	2VRL	0.74
MBN	TOLUENE	A,I	2Z3E	0.74
MBN	TOLUENE	A,B	1YZI	0.74
MBN	TOLUENE	A,B	2DN1	0.74
MBN	TOLUENE	A,B	3EN1	0.74
OXE	ORTHO-XYLENE	A,B	3E0X	0.72
OXE	ORTHO-XYLENE	A	188L	0.72
PXY	PARA-XYLENE	A	187L	0.74
PXY	PARA-XYLENE	A	225L	0.74
787	(PHENYL-PHOSPHONO-METHYL)-PHOSPHONIC ACID	A	1O4R	0.79
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.74
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.74
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.74
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.74
PEL	2-PHENYL-ETHANOL	A	1EYW	0.74
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.74
N4B	N-BUTYLBENZENE	A	186L	0.74
PYL	PHENYLETHANE	C	1B07	0.74
PYL	PHENYLETHANE	A,B	2VRM	0.74
PYL	PHENYLETHANE	A	1NHB	0.74
B08		A,B	2E99	0.71
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.72
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1DPM	0.8
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6B	0.8
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1PSC	0.8
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	3E3H	0.8
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1QW7	0.8
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6C	0.8
B69		A	2ZCR	0.7
B70	tripotassium (1R)-4-biphenyl-4- yl-1-phosphonatobutane-1-sulfonate	A	2ZCS	0.71
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	A	1OS0	0.7
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	E,I	4TMN	0.7
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	S	1CGH	0.7
BDB		A,B	1KE3	0.81