MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02876207

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
TSU	PARA-TOLUENE SULFONATE	A,B	1WUW	0.71
TSU	PARA-TOLUENE SULFONATE	A	1B0D	0.71
BBS	4-TERT-BUTYLBENZENESULFONIC ACID	B	1EOJ	0.74
BBS	4-TERT-BUTYLBENZENESULFONIC ACID	B	1EOL	0.74
NPY	NAPHTHALENE	A,B	1O7G	0.75
NAS	2-NAPHTHALENESULFONIC ACID	I	1QUR	0.72
NAS	2-NAPHTHALENESULFONIC ACID	E,I	1PPC	0.72
NAS	2-NAPHTHALENESULFONIC ACID	H	1ETS	0.72
BZB	BENZO[B]THIOPHENE-2-BORONIC ACID	A,B	3FKV	0.74
BZB	BENZO[B]THIOPHENE-2-BORONIC ACID	A,B	1C3B	0.74
BPS		A,B	2DE4	0.79
PYL	PHENYLETHANE	C	1B07	0.76
PYL	PHENYLETHANE	A,B	2VRM	0.76
PYL	PHENYLETHANE	A	1NHB	0.76
BDB		A,B	1KE3	0.77
MBN	TOLUENE	A,B	3D7O	0.73
MBN	TOLUENE	A,B	1R1X	0.73
MBN	TOLUENE	A,B	1JLX	0.73
MBN	TOLUENE	A,B,C,D	3D17	0.73
MBN	TOLUENE	A,B	2VRL	0.73
MBN	TOLUENE	A,I	2Z3E	0.73
MBN	TOLUENE	A,B	1YZI	0.73
MBN	TOLUENE	A,B	2DN1	0.73
MBN	TOLUENE	A,B	3EN1	0.73
N4B	N-BUTYLBENZENE	A	186L	0.76
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.79
PXY	PARA-XYLENE	A	187L	0.74
PXY	PARA-XYLENE	A	225L	0.74
3BT	2-{2-[3-(2-CARBAMIMIDOYLSULFANYL- ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA	A,B	1D1Y	0.7
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.72
SML	PHENYL METHYL SULFONE	A,I	1D6W	0.71
SML	PHENYL METHYL SULFONE	A,I	1D9I	0.71
4BT	2-{2-[4-(2-CARBAMIMIDOYLSULFANYL- ETHYL)-PHENYL]-ETHYL}-ISOTHIOUREA	A,B	1D1X	0.7
HZH	1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan- 2-one	A,B	3DEA	0.72
I4B	ISOBUTYLBENZENE	A	184L	0.76
BIH	NAPHTHALENE-2,6-DISULFONIC ACID	A	1U4S	0.7
PEY	PHENANTHRENE	A,B	2HML	0.72
PEY	PHENANTHRENE	A,B	2HMK	0.72
B69		A	2ZCR	0.7
TLD	4-methylbenzene-1,2-dithiol	A	2Z94	0.76
OXE	ORTHO-XYLENE	A,B	3E0X	0.76
OXE	ORTHO-XYLENE	A	188L	0.76
FPR	PROPYLBENZENE	C	1RHK	0.76
TOS	P-SULFINOTOLUENE	H	1ETT	0.72
TOS	P-SULFINOTOLUENE	I	4PAD	0.72
TOS	P-SULFINOTOLUENE	A	1EST	0.72
TOS	P-SULFINOTOLUENE	C,G	2CHA	0.72
TOS	P-SULFINOTOLUENE	E	1PPH	0.72
DEN	INDENE	A	183L	0.71
PTF	[(METHYLSULFANYL)METHYL]BENZENE	C,F	1RHQ	0.81
AN3	ANTHRACENE	A,B	2HMN	0.72
AN3	ANTHRACENE	A,B	2HMM	0.72