MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00879636

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
3BT	2-{2-[3-(2-CARBAMIMIDOYLSULFANYL- ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA	A,B	1D1Y	0.76
NPY	NAPHTHALENE	A,B	1O7G	0.74
SEH	S-BENZYL PHENYLACETOTHIOHYDROXIMATE- O-SULFATE	M	1W9D	0.74
4BT	2-{2-[4-(2-CARBAMIMIDOYLSULFANYL- ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA	A,B	1D1X	0.76
DEN	INDENE	A	183L	0.75
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.76
HZH	1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan- 2-one	A,B	3DEA	0.81
PXY	PARA-XYLENE	A	187L	0.75
PXY	PARA-XYLENE	A	225L	0.75
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
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.76
OXE	ORTHO-XYLENE	A,B	3E0X	0.78
OXE	ORTHO-XYLENE	A	188L	0.78
AN3	ANTHRACENE	A,B	2HMN	0.71
AN3	ANTHRACENE	A,B	2HMM	0.71
BDB		A,B	1KE3	0.77
IBZ	2-IODOBENZYLTHIO GROUP	A,B	1CEL	0.77
FPR	PROPYLBENZENE	C	1RHK	0.78
B70	tripotassium (1R)-4-biphenyl-4- yl-1-phosphonatobutane-1-sulfonate	A	2ZCS	0.7
2IB	2-IODOBENZYL GROUP	I,J,K,L,M,N, O,P	1GUL	0.7
PEY	PHENANTHRENE	A,B	2HML	0.71
PEY	PHENANTHRENE	A,B	2HMK	0.71
I4B	ISOBUTYLBENZENE	A	184L	0.81
BPS		A,B	2DE4	0.72
TLD	4-methylbenzene-1,2-dithiol	A	2Z94	0.71
PYL	PHENYLETHANE	C	1B07	0.78
PYL	PHENYLETHANE	A,B	2VRM	0.78
PYL	PHENYLETHANE	A	1NHB	0.78
PTF	[(METHYLSULFANYL)METHYL]BENZENE	C,F	1RHQ	0.88
N4B	N-BUTYLBENZENE	A	186L	0.78
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