MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02626467

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
N4B	N-BUTYLBENZENE	A	186L	0.82
PTF	[(METHYLSULFANYL)METHYL]BENZENE	C,F	1RHQ	0.89
PYL	PHENYLETHANE	C	1B07	0.82
PYL	PHENYLETHANE	A,B	2VRM	0.82
PYL	PHENYLETHANE	A	1NHB	0.82
TSU	PARA-TOLUENE SULFONATE	A,B	1WUW	0.71
TSU	PARA-TOLUENE SULFONATE	A	1B0D	0.71
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.76
SEH	S-BENZYL PHENYLACETOTHIOHYDROXIMATE- O-SULFATE	M	1W9D	0.72
BDB		A,B	1KE3	0.7
TOS	P-SULFINOTOLUENE	H	1ETT	0.71
TOS	P-SULFINOTOLUENE	I	4PAD	0.71
TOS	P-SULFINOTOLUENE	A	1EST	0.71
TOS	P-SULFINOTOLUENE	C,G	2CHA	0.71
TOS	P-SULFINOTOLUENE	E	1PPH	0.71
NPY	NAPHTHALENE	A,B	1O7G	0.7
I4B	ISOBUTYLBENZENE	A	184L	0.79
MBN	TOLUENE	A,B	3D7O	0.81
MBN	TOLUENE	A,B	1R1X	0.81
MBN	TOLUENE	A,B	1JLX	0.81
MBN	TOLUENE	A,B,C,D	3D17	0.81
MBN	TOLUENE	A,B	2VRL	0.81
MBN	TOLUENE	A,I	2Z3E	0.81
MBN	TOLUENE	A,B	1YZI	0.81
MBN	TOLUENE	A,B	2DN1	0.81
MBN	TOLUENE	A,B	3EN1	0.81
FPR	PROPYLBENZENE	C	1RHK	0.82
4BT	2-{2-[4-(2-CARBAMIMIDOYLSULFANYL- ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA	A,B	1D1X	0.72
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.74
3BT	2-{2-[3-(2-CARBAMIMIDOYLSULFANYL- ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA	A,B	1D1Y	0.72
DEN	INDENE	A	183L	0.76
HZH	1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan- 2-one	A,B	3DEA	0.74
IBZ	2-IODOBENZYLTHIO GROUP	A,B	1CEL	0.76
2HT	3-methylbenzonitrile	A,B	3F88	0.71
PMS	BENZYLSULFINIC ACID	B	1PNM	0.73
PMS	BENZYLSULFINIC ACID	A,B	1SH7	0.73
PMS	BENZYLSULFINIC ACID	B,C	1BB0	0.73
PMS	BENZYLSULFINIC ACID	A,B	1S2N	0.73
PMS	BENZYLSULFINIC ACID	A,B	1WB8	0.73
PMS	BENZYLSULFINIC ACID	A,B,C	3CE4	0.73
PMS	BENZYLSULFINIC ACID	A,B	1Y9Z	0.73
PMS	BENZYLSULFINIC ACID	A	3H18	0.73
PMS	BENZYLSULFINIC ACID	A	3H17	0.73
PMS	BENZYLSULFINIC ACID	A	2CBG	0.73
PMS	BENZYLSULFINIC ACID	A	1SUP	0.73
PMS	BENZYLSULFINIC ACID	A,B	1V6C	0.73
PMS	BENZYLSULFINIC ACID	A,B	1WPR	0.73
PMS	BENZYLSULFINIC ACID	A,B	1EQ9	0.73
PMS	BENZYLSULFINIC ACID	A,B	1AUR	0.73
PMS	BENZYLSULFINIC ACID	A	1KLT	0.73
PMS	BENZYLSULFINIC ACID	B,C	1CA8	0.73
PMS	BENZYLSULFINIC ACID	A	2GKO	0.73
PMS	BENZYLSULFINIC ACID	B,C,D	1BA8	0.73
TLD	4-methylbenzene-1,2-dithiol	A	2Z94	0.79
OXE	ORTHO-XYLENE	A,B	3E0X	0.79
OXE	ORTHO-XYLENE	A	188L	0.79
PXY	PARA-XYLENE	A	187L	0.82
PXY	PARA-XYLENE	A	225L	0.82
2IB	2-IODOBENZYL GROUP	I,J,K,L,M,N, O,P	1GUL	0.76