MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03278543

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
PBN	4-PHENYLBUTYLAMINE	A	1TNI	0.76
PBN	4-PHENYLBUTYLAMINE	A	1UTP	0.76
PRA	3-PHENYLPROPYLAMINE	A	1TNK	0.76
PRA	3-PHENYLPROPYLAMINE	M	1UTL	0.76
DMX	3-[BENZYL(DIMETHYL)AMMONIO]PROPANE- 1-SULFONATE	A,B,C,D	1TP7	0.78
TP2	N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL	A,B	1F4D	0.7
TP2	N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL	A,B	1F4C	0.7
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBM	0.77
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBD	0.77
B2F	PHENYLALANINE BORONIC ACID	A,P	1P06	0.77
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBI	0.77
B2F	PHENYLALANINE BORONIC ACID	A,P	8LPR	0.77
PTF	[(METHYLSULFANYL)METHYL]BENZENE	C,F	1RHQ	0.73
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	A,B	3B2Q	0.81
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	O,P,Q,R	2B4T	0.81
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	O,P,Q,R	2B4R	0.81
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	A,B	3EIU	0.81
PEA	2-PHENYLETHYLAMINE	A,B,E,F,G,H	1MHW	0.75
PEA	2-PHENYLETHYLAMINE	A	1TNJ	0.75
PEA	2-PHENYLETHYLAMINE	D,H	2HKM	0.75
PEA	2-PHENYLETHYLAMINE	A	1UTO	0.75
PEA	2-PHENYLETHYLAMINE	A,B	1D6Y	0.75
PEA	2-PHENYLETHYLAMINE	A,B	1D6Z	0.75
PEA	2-PHENYLETHYLAMINE	A,B	1D6U	0.75
PEA	2-PHENYLETHYLAMINE	A	1UTM	0.75
PMS	BENZYLSULFINIC ACID	B	1PNM	0.76
PMS	BENZYLSULFINIC ACID	A,B	1SH7	0.76
PMS	BENZYLSULFINIC ACID	B,C	1BB0	0.76
PMS	BENZYLSULFINIC ACID	A,B	1S2N	0.76
PMS	BENZYLSULFINIC ACID	A,B	1WB8	0.76
PMS	BENZYLSULFINIC ACID	A,B,C	3CE4	0.76
PMS	BENZYLSULFINIC ACID	A,B	1Y9Z	0.76
PMS	BENZYLSULFINIC ACID	A	3H18	0.76
PMS	BENZYLSULFINIC ACID	A	3H17	0.76
PMS	BENZYLSULFINIC ACID	A	2CBG	0.76
PMS	BENZYLSULFINIC ACID	A	1SUP	0.76
PMS	BENZYLSULFINIC ACID	A,B	1V6C	0.76
PMS	BENZYLSULFINIC ACID	A,B	1WPR	0.76
PMS	BENZYLSULFINIC ACID	A,B	1EQ9	0.76
PMS	BENZYLSULFINIC ACID	A,B	1AUR	0.76
PMS	BENZYLSULFINIC ACID	A	1KLT	0.76
PMS	BENZYLSULFINIC ACID	B,C	1CA8	0.76
PMS	BENZYLSULFINIC ACID	A	2GKO	0.76
PMS	BENZYLSULFINIC ACID	B,C,D	1BA8	0.76
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.71
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.71
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.71
ABN	BENZYLAMINE	D,H	2HXC	0.71
ABN	BENZYLAMINE	A,I	1A86	0.71
ABN	BENZYLAMINE	A	1UTN	0.71
ABN	BENZYLAMINE	A	1N6X	0.71
ABN	BENZYLAMINE	A	2BZA	0.71
ABN	BENZYLAMINE	A	2EUS	0.71
ABN	BENZYLAMINE	A	1N6Y	0.71
ABN	BENZYLAMINE	A	1UTJ	0.71
NBB	N-BUTYL-BENZENESULFONAMIDE	A,B	3D73	0.79
NBB	N-BUTYL-BENZENESULFONAMIDE	A	3D77	0.79
NBB	N-BUTYL-BENZENESULFONAMIDE	A,B	3D78	0.79
NBB	N-BUTYL-BENZENESULFONAMIDE	A,B	3CZ1	0.79
NBB	N-BUTYL-BENZENESULFONAMIDE	A	3D75	0.79
NBB	N-BUTYL-BENZENESULFONAMIDE	A	3D76	0.79
NBB	N-BUTYL-BENZENESULFONAMIDE	A	3BJH	0.79
NBB	N-BUTYL-BENZENESULFONAMIDE	A,B	3D74	0.79
PO0	1-BENZYL-(R)-PROPYLAMINE	A,I	1LZQ	0.79
PO0	1-BENZYL-(R)-PROPYLAMINE	B,I	1M0B	0.79
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
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	A	1OS0	0.71
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	E,I	4TMN	0.71
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	S	1CGH	0.71
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B	2OUA	0.78
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B,C,D	2AJC	0.78
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B	3PRO	0.78
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B	2PFE	0.78
TSU	PARA-TOLUENE SULFONATE	A,B	1WUW	0.72
TSU	PARA-TOLUENE SULFONATE	A	1B0D	0.72
FRD	1-PHENYL-2-AMINOPROPANE	A,C	2AOI	0.79
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOF	0.79
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOJ	0.79
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOH	0.79
ZYX	4-(2-AMINOETHYL)BENZENESULFONAMIDE	A	2NNG	0.82
TCK	N-[(1S)-5-amino-1-(chloroacetyl)pentyl]- 4-methylbenzenesulfonamide	A	1ARC	0.73
007	1-METHYLAMINE-1-BENZYL-CYCLOPENTANE	A,B,C,D	2BUA	0.7
2BL	(3R)-3-ethyl-N-[(4-methylphenyl)sulfonyl]- L-aspartic acid	A	1BTU	0.7
TPA	TRANS-2-PHENYLCYCLOPROPYLAMINE	A	1TNL	0.73
BCS	BENZYLCYSTEINE	A,B,G,H	10GS	0.74
BCS	BENZYLCYSTEINE	A	1EH8	0.74
SEB	O-BENZYLSULFONYL-SERINE	A,B,C,D	2APJ	0.76
SEB	O-BENZYLSULFONYL-SERINE	A	1IAV	0.76
SEB	O-BENZYLSULFONYL-SERINE	A,B	1IEC	0.76
SEB	O-BENZYLSULFONYL-SERINE	A	1ZIY	0.76
SEB	O-BENZYLSULFONYL-SERINE	A	1C9N	0.76
SEB	O-BENZYLSULFONYL-SERINE	A	1ZJ4	0.76
SEB	O-BENZYLSULFONYL-SERINE	A	1GGV	0.76
SEB	O-BENZYLSULFONYL-SERINE	A	1Q5P	0.76
SEB	O-BENZYLSULFONYL-SERINE	A	1PQA	0.76
SEB	O-BENZYLSULFONYL-SERINE	A	1ZJ5	0.76
SEB	O-BENZYLSULFONYL-SERINE	A	1C9M	0.76
MAJ	indane-5-sulfonamide	A	2QOA	0.71
HS4	N-oxo-2-[(4-phenylphenyl)sulfonylamino]ethanamide	A	3F17	0.7
DPK	DEPRENYL	A,B	2BYB	0.7
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.71
BHY	N,N'-[biphenyl-4,4'-diyldi(2R)propane- 2,1-diyl]dimethanesulfonamide	A,B	3BBR	0.78
M25	N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE	A,B	2NMX	0.73
M25	N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE	A	2NNS	0.73
NFP	3-AMINO-5-PHENYLPENTANE	A	1MEM	0.8
NFP	3-AMINO-5-PHENYLPENTANE	A,D,E	1FH0	0.8