MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03210552

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
B2Y	1-biphenyl-2-ylmethanamine	A,B,C,D	3CCB	0.73
FPR	PROPYLBENZENE	C	1RHK	0.75
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
OXE	ORTHO-XYLENE	A,B	3E0X	0.73
OXE	ORTHO-XYLENE	A	188L	0.73
1PC	1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE	B,C	2PCP	0.74
IBZ	2-IODOBENZYLTHIO GROUP	A,B	1CEL	0.75
PBN	4-PHENYLBUTYLAMINE	A	1TNI	0.79
PBN	4-PHENYLBUTYLAMINE	A	1UTP	0.79
PRA	3-PHENYLPROPYLAMINE	A	1TNK	0.79
PRA	3-PHENYLPROPYLAMINE	M	1UTL	0.79
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
271	N-methyl-1-phenylmethanamine	X	2RBT	0.8
SB7	[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL	A	2AI7	0.77
SB7	[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL	A,B,C	2AI8	0.77
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.71
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	E,F,G,H	1NJU	0.72
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	Y,Z	1JQ7	0.72
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	C	1NKM	0.72
PTF	[(METHYLSULFANYL)METHYL]BENZENE	C,F	1RHQ	0.77
FBA	4-FLUOROBENZYLAMINE	B,D,E	1AFQ	0.73
FBA	4-FLUOROBENZYLAMINE	A	1TNH	0.73
ZYX	4-(2-AMINOETHYL)BENZENESULFONAMIDE	A	2NNG	0.72
PXY	PARA-XYLENE	A	187L	0.73
PXY	PARA-XYLENE	A	225L	0.73
ABN	BENZYLAMINE	D,H	2HXC	0.76
ABN	BENZYLAMINE	A,I	1A86	0.76
ABN	BENZYLAMINE	A	1UTN	0.76
ABN	BENZYLAMINE	A	1N6X	0.76
ABN	BENZYLAMINE	A	2BZA	0.76
ABN	BENZYLAMINE	A	2EUS	0.76
ABN	BENZYLAMINE	A	1N6Y	0.76
ABN	BENZYLAMINE	A	1UTJ	0.76
PO0	1-BENZYL-(R)-PROPYLAMINE	A,I	1LZQ	0.79
PO0	1-BENZYL-(R)-PROPYLAMINE	B,I	1M0B	0.79
BNF	N-BENZYLFORMAMIDE	A,B	1U3U	0.72
RM1	N-METHYL-1(R)-AMINOINDAN	A,B	2C67	0.73
RMA	N-[(1S)-2,3-DIHYDRO-1H-INDEN-1- YL]-N-METHYL-N-PROP-2-YNYLAMINE	A,B	1S3B	0.75
263	1-(azidomethyl)-3-methylbenzene	X	2RB2	0.77
FPA	1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE	E,I	4EST	0.71
I4B	ISOBUTYLBENZENE	A	184L	0.73
TRJ	META-DI(AMINOMETHYL)BENZENE	A,I	1GVV	0.74
TRJ	META-DI(AMINOMETHYL)BENZENE	A	1FQ5	0.74
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
4FP	4-(4-FLUOROBENZYL)PIPERIDINE	A	2OHN	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
PYL	PHENYLETHANE	C	1B07	0.75
PYL	PHENYLETHANE	A,B	2VRM	0.75
PYL	PHENYLETHANE	A	1NHB	0.75
GG3	{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE- 1,1-DIYL}BIS(PHOSPHONIC ACID)	A,B	2P1C	0.72
GG3	{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE- 1,1-DIYL}BIS(PHOSPHONIC ACID)	A,B	2Z7H	0.72
N4B	N-BUTYLBENZENE	A	186L	0.75
NFP	3-AMINO-5-PHENYLPENTANE	A	1MEM	0.76
NFP	3-AMINO-5-PHENYLPENTANE	A,D,E	1FH0	0.76
TPA	TRANS-2-PHENYLCYCLOPROPYLAMINE	A	1TNL	0.73
EOA	N-PHENETHYL-FORMAMIDE	H,I	1A5G	0.76
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B	2OUA	0.72
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B,C,D	2AJC	0.72
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B	3PRO	0.72
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B	2PFE	0.72
DP4	TRANS-2-(DIMETHYLPHENYLSILYL)-PIPERIDINE- N-OXIDE	A,B,C,D,E,F, G,H	1ND0	0.7
PEA	2-PHENYLETHYLAMINE	A,B,E,F,G,H	1MHW	0.8
PEA	2-PHENYLETHYLAMINE	A	1TNJ	0.8
PEA	2-PHENYLETHYLAMINE	D,H	2HKM	0.8
PEA	2-PHENYLETHYLAMINE	A	1UTO	0.8
PEA	2-PHENYLETHYLAMINE	A,B	1D6Y	0.8
PEA	2-PHENYLETHYLAMINE	A,B	1D6Z	0.8
PEA	2-PHENYLETHYLAMINE	A,B	1D6U	0.8
PEA	2-PHENYLETHYLAMINE	A	1UTM	0.8
PMS	BENZYLSULFINIC ACID	B	1PNM	0.7
PMS	BENZYLSULFINIC ACID	A,B	1SH7	0.7
PMS	BENZYLSULFINIC ACID	B,C	1BB0	0.7
PMS	BENZYLSULFINIC ACID	A,B	1S2N	0.7
PMS	BENZYLSULFINIC ACID	A,B	1WB8	0.7
PMS	BENZYLSULFINIC ACID	A,B,C	3CE4	0.7
PMS	BENZYLSULFINIC ACID	A,B	1Y9Z	0.7
PMS	BENZYLSULFINIC ACID	A	3H18	0.7
PMS	BENZYLSULFINIC ACID	A	3H17	0.7
PMS	BENZYLSULFINIC ACID	A	2CBG	0.7
PMS	BENZYLSULFINIC ACID	A	1SUP	0.7
PMS	BENZYLSULFINIC ACID	A,B	1V6C	0.7
PMS	BENZYLSULFINIC ACID	A,B	1WPR	0.7
PMS	BENZYLSULFINIC ACID	A,B	1EQ9	0.7
PMS	BENZYLSULFINIC ACID	A,B	1AUR	0.7
PMS	BENZYLSULFINIC ACID	A	1KLT	0.7
PMS	BENZYLSULFINIC ACID	B,C	1CA8	0.7
PMS	BENZYLSULFINIC ACID	A	2GKO	0.7
PMS	BENZYLSULFINIC ACID	B,C,D	1BA8	0.7
267	1-(azidomethyl)-3-methylbenzene	A	2RBQ	0.77
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	A,B	3B2Q	0.74
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	O,P,Q,R	2B4T	0.74
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	O,P,Q,R	2B4R	0.74
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	A,B	3EIU	0.74
BAC	N-(4-IODO-BENZYL)-FORMAMIDE	A,B,C,D	2WPO	0.7
TLD	4-methylbenzene-1,2-dithiol	A	2Z94	0.71
DPK	DEPRENYL	A,B	2BYB	0.86
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIM	0.78
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIL	0.78
007	1-METHYLAMINE-1-BENZYL-CYCLOPENTANE	A,B,C,D	2BUA	0.74
L18	(2S)-1-methyl-2-[(2S,4R)-2-methyl- 4-phenylpentyl]piperidine	A	2JJG	0.78
DMX	3-[BENZYL(DIMETHYL)AMMONIO]PROPANE- 1-SULFONATE	A,B,C,D	1TP7	0.82
BTM	N-benzyl-N,N-diethylethanaminium	A,B	2Q9Y	0.83