MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03242790

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
SEH	S-BENZYL PHENYLACETOTHIOHYDROXIMATE- O-SULFATE	M	1W9D	0.74
3PL	3-PHENYLPROPANAL	E	1Y3G	0.71
IBZ	2-IODOBENZYLTHIO GROUP	A,B	1CEL	0.75
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1DPM	0.73
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6B	0.73
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1PSC	0.73
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	3E3H	0.73
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1QW7	0.73
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6C	0.73
OXE	ORTHO-XYLENE	A,B	3E0X	0.74
OXE	ORTHO-XYLENE	A	188L	0.74
TLD	4-methylbenzene-1,2-dithiol	A	2Z94	0.74
MBN	TOLUENE	A,B	3D7O	0.75
MBN	TOLUENE	A,B	1R1X	0.75
MBN	TOLUENE	A,B	1JLX	0.75
MBN	TOLUENE	A,B,C,D	3D17	0.75
MBN	TOLUENE	A,B	2VRL	0.75
MBN	TOLUENE	A,I	2Z3E	0.75
MBN	TOLUENE	A,B	1YZI	0.75
MBN	TOLUENE	A,B	2DN1	0.75
MBN	TOLUENE	A,B	3EN1	0.75
PYL	PHENYLETHANE	C	1B07	0.76
PYL	PHENYLETHANE	A,B	2VRM	0.76
PYL	PHENYLETHANE	A	1NHB	0.76
I4B	ISOBUTYLBENZENE	A	184L	0.74
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.7
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.7
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.7
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.7
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.7
N4B	N-BUTYLBENZENE	A	186L	0.76
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.71
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.71
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.71
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.71
PEL	2-PHENYL-ETHANOL	A	1EYW	0.71
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.71
PXY	PARA-XYLENE	A	187L	0.76
PXY	PARA-XYLENE	A	225L	0.76
HZH	1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan- 2-one	A,B	3DEA	0.78
4BT	2-{2-[4-(2-CARBAMIMIDOYLSULFANYL- ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA	A,B	1D1X	0.72
3BT	2-{2-[3-(2-CARBAMIMIDOYLSULFANYL- ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA	A,B	1D1Y	0.72
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.74
FPR	PROPYLBENZENE	C	1RHK	0.76
PTF	[(METHYLSULFANYL)METHYL]BENZENE	C,F	1RHQ	0.88
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
2IB	2-IODOBENZYL GROUP	I,J,K,L,M,N, O,P	1GUL	0.71