MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03237183

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
PXY	PARA-XYLENE	A	187L	0.78
PXY	PARA-XYLENE	A	225L	0.78
MBN	TOLUENE	A,B	3D7O	0.78
MBN	TOLUENE	A,B	1R1X	0.78
MBN	TOLUENE	A,B	1JLX	0.78
MBN	TOLUENE	A,B,C,D	3D17	0.78
MBN	TOLUENE	A,B	2VRL	0.78
MBN	TOLUENE	A,I	2Z3E	0.78
MBN	TOLUENE	A,B	1YZI	0.78
MBN	TOLUENE	A,B	2DN1	0.78
MBN	TOLUENE	A,B	3EN1	0.78
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.74
2IB	2-IODOBENZYL GROUP	I,J,K,L,M,N, O,P	1GUL	0.73
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.76
SS1	1-PHENYLETHANOL	H	1UM5	0.74
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1DPM	0.77
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6B	0.77
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1PSC	0.77
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	3E3H	0.77
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1QW7	0.77
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6C	0.77
FPR	PROPYLBENZENE	C	1RHK	0.78
DEN	INDENE	A	183L	0.7
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.75
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.72
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.72
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.72
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.72
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.72
2HR	HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS1	0.71
2HS	HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS2	0.71
1LP	TRANYLCYPROMINE	A,B	1OJB	0.7
I4B	ISOBUTYLBENZENE	A	184L	0.76
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.72
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.72
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.74
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.75
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.75
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.75
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.75
PEL	2-PHENYL-ETHANOL	A	1EYW	0.75
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.75
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A,B	2P0M	0.71
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A	1LOX	0.71
3PL	3-PHENYLPROPANAL	E	1Y3G	0.73
OXE	ORTHO-XYLENE	A,B	3E0X	0.76
OXE	ORTHO-XYLENE	A	188L	0.76
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.73
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.74
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.74
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.74
PYL	PHENYLETHANE	C	1B07	0.78
PYL	PHENYLETHANE	A,B	2VRM	0.78
PYL	PHENYLETHANE	A	1NHB	0.78
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.7
N4B	N-BUTYLBENZENE	A	186L	0.78
PTF	[(METHYLSULFANYL)METHYL]BENZENE	C,F	1RHQ	0.71