MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01909730

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
FBS	4-FLOUROBENZENESULFONAMIDE	A	1IF4	0.76
FPR	PROPYLBENZENE	C	1RHK	0.73
DMX	3-[BENZYL(DIMETHYL)AMMONIO]PROPANE- 1-SULFONATE	A,B,C,D	1TP7	0.7
NDT	2-(TOLUENE-4-SULFONYL)-2H-BENZO[D][1,2,3]DIAZABORININ- 1-OL	A,B	1DFG	0.73
M28	3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID	A,B	2NN1	0.72
M28	3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID	A	2NNO	0.72
PMS	BENZYLSULFINIC ACID	B	1PNM	0.79
PMS	BENZYLSULFINIC ACID	A,B	1SH7	0.79
PMS	BENZYLSULFINIC ACID	B,C	1BB0	0.79
PMS	BENZYLSULFINIC ACID	A,B	1S2N	0.79
PMS	BENZYLSULFINIC ACID	A,B	1WB8	0.79
PMS	BENZYLSULFINIC ACID	A,B,C	3CE4	0.79
PMS	BENZYLSULFINIC ACID	A,B	1Y9Z	0.79
PMS	BENZYLSULFINIC ACID	A	3H18	0.79
PMS	BENZYLSULFINIC ACID	A	3H17	0.79
PMS	BENZYLSULFINIC ACID	A	2CBG	0.79
PMS	BENZYLSULFINIC ACID	A	1SUP	0.79
PMS	BENZYLSULFINIC ACID	A,B	1V6C	0.79
PMS	BENZYLSULFINIC ACID	A,B	1WPR	0.79
PMS	BENZYLSULFINIC ACID	A,B	1EQ9	0.79
PMS	BENZYLSULFINIC ACID	A,B	1AUR	0.79
PMS	BENZYLSULFINIC ACID	A	1KLT	0.79
PMS	BENZYLSULFINIC ACID	B,C	1CA8	0.79
PMS	BENZYLSULFINIC ACID	A	2GKO	0.79
PMS	BENZYLSULFINIC ACID	B,C,D	1BA8	0.79
M25	N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE	A,B	2NMX	0.71
M25	N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE	A	2NNS	0.71
BNS	HYDROSULFONYLBENZENE	1	1YYY	0.76
BNS	HYDROSULFONYLBENZENE	A	1MEM	0.76
BNS	HYDROSULFONYLBENZENE	A,D,E	1FH0	0.76
BNS	HYDROSULFONYLBENZENE	A,B,C,D	1PQ9	0.76
MBN	TOLUENE	A,B	3D7O	0.72
MBN	TOLUENE	A,B	1R1X	0.72
MBN	TOLUENE	A,B	1JLX	0.72
MBN	TOLUENE	A,B,C,D	3D17	0.72
MBN	TOLUENE	A,B	2VRL	0.72
MBN	TOLUENE	A,I	2Z3E	0.72
MBN	TOLUENE	A,B	1YZI	0.72
MBN	TOLUENE	A,B	2DN1	0.72
MBN	TOLUENE	A,B	3EN1	0.72
MAJ	indane-5-sulfonamide	A	2QOA	0.84
PTF	[(METHYLSULFANYL)METHYL]BENZENE	C,F	1RHQ	0.77
NTS	NAPHTHALENE TRISULFONATE	A	1RML	0.73
NAS	2-NAPHTHALENESULFONIC ACID	I	1QUR	0.75
NAS	2-NAPHTHALENESULFONIC ACID	E,I	1PPC	0.75
NAS	2-NAPHTHALENESULFONIC ACID	H	1ETS	0.75
SEH	S-BENZYL PHENYLACETOTHIOHYDROXIMATE- O-SULFATE	M	1W9D	0.72
PVS	(ethenylsulfonyl)benzene	A	3BLU	0.78
PXY	PARA-XYLENE	A	187L	0.73
PXY	PARA-XYLENE	A	225L	0.73
IBZ	2-IODOBENZYLTHIO GROUP	A,B	1CEL	0.7
FBT	2,6-DIFLUOROBENZENESULFONAMIDE	A	1IF5	0.74
FBU	3,5-DIFLUOROBENZENESULFONAMIDE	A	1IF6	0.74
BPS		A,B	2DE4	0.76
PYL	PHENYLETHANE	C	1B07	0.73
PYL	PHENYLETHANE	A,B	2VRM	0.73
PYL	PHENYLETHANE	A	1NHB	0.73
TLD	4-methylbenzene-1,2-dithiol	A	2Z94	0.8
TOS	P-SULFINOTOLUENE	H	1ETT	0.84
TOS	P-SULFINOTOLUENE	I	4PAD	0.84
TOS	P-SULFINOTOLUENE	A	1EST	0.84
TOS	P-SULFINOTOLUENE	C,G	2CHA	0.84
TOS	P-SULFINOTOLUENE	E	1PPH	0.84
M29	ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE	A	2NNV	0.73
M29	ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE	A,B	2NN7	0.73
TSU	PARA-TOLUENE SULFONATE	A,B	1WUW	0.86
TSU	PARA-TOLUENE SULFONATE	A	1B0D	0.86
PMB	PARA-MERCURY-BENZENESULFONIC ACID	B	1BH9	0.72
PMB	PARA-MERCURY-BENZENESULFONIC ACID	H	1HDK	0.72
PMB	PARA-MERCURY-BENZENESULFONIC ACID	A	1HJ1	0.72
PMB	PARA-MERCURY-BENZENESULFONIC ACID	A,B,C,D	1YP2	0.72
PMB	PARA-MERCURY-BENZENESULFONIC ACID	A	1XZC	0.72
I4B	ISOBUTYLBENZENE	A	184L	0.71
AM4	4-(METHYLSULFONYL)BENZENECARBOXIMIDAMIDE	A	1TX8	0.73
SML	PHENYL METHYL SULFONE	A,I	1D6W	0.79
SML	PHENYL METHYL SULFONE	A,I	1D9I	0.79
NBB	N-BUTYL-BENZENESULFONAMIDE	A,B	3D73	0.75
NBB	N-BUTYL-BENZENESULFONAMIDE	A	3D77	0.75
NBB	N-BUTYL-BENZENESULFONAMIDE	A,B	3D78	0.75
NBB	N-BUTYL-BENZENESULFONAMIDE	A,B	3CZ1	0.75
NBB	N-BUTYL-BENZENESULFONAMIDE	A	3D75	0.75
NBB	N-BUTYL-BENZENESULFONAMIDE	A	3D76	0.75
NBB	N-BUTYL-BENZENESULFONAMIDE	A	3BJH	0.75
NBB	N-BUTYL-BENZENESULFONAMIDE	A,B	3D74	0.75
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	A,B	3B2Q	0.78
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	O,P,Q,R	2B4T	0.78
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	O,P,Q,R	2B4R	0.78
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	A,B	3EIU	0.78
N4B	N-BUTYLBENZENE	A	186L	0.73
ZYX	4-(2-AMINOETHYL)BENZENESULFONAMIDE	A	2NNG	0.8
OXE	ORTHO-XYLENE	A,B	3E0X	0.71
OXE	ORTHO-XYLENE	A	188L	0.71
HS4	N-oxo-2-[(4-phenylphenyl)sulfonylamino]ethanamide	A	3F17	0.7
BBS	4-TERT-BUTYLBENZENESULFONIC ACID	B	1EOJ	0.81
BBS	4-TERT-BUTYLBENZENESULFONIC ACID	B	1EOL	0.81
BIH	NAPHTHALENE-2,6-DISULFONIC ACID	A	1U4S	0.75
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.73
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B	2OUA	0.74
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B,C,D	2AJC	0.74
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B	3PRO	0.74
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B	2PFE	0.74