MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03542703

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
SB7	[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL	A	2AI7	0.78
SB7	[HYDROXY(3-PHENYLPROPYL)AMINO]METHANOL	A,B,C	2AI8	0.78
TTL	TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL	A,B	2AN5	0.72
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.7
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.83
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.83
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.83
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.83
PEL	2-PHENYL-ETHANOL	A	1EYW	0.83
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.83
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.71
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.71
APD	3-METHYLPHENYLALANINE	A,B,C	1GMY	0.71
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.78
GG3	{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE- 1,1-DIYL}BIS(PHOSPHONIC ACID)	A,B	2P1C	0.71
GG3	{1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE- 1,1-DIYL}BIS(PHOSPHONIC ACID)	A,B	2Z7H	0.71
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.72
AHT	4-(2,5-DIAMINO-5-HYDROXY-PENTYL)- PHENOL	I,T	1TMB	0.71
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.72
263	1-(azidomethyl)-3-methylbenzene	X	2RB2	0.74
2HS	HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS2	0.72
1ZN	(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy- 2,6,8-trimethyl-10-phenyldeca-4,6- dienoic acid	C,F,M,N	2IAE	0.72
2HR	HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS1	0.72
PSA	3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID	I	1EPL	0.71
PSA	3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID	A,B,C,D	2IFW	0.71
PSA	3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID	E,I	1EPM	0.71
23N	(2R)-2-benzyl-3-nitropropanoic acid	A	2RFH	0.74
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,M,N	1FJM	0.71
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVA	0.71
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1LCM	0.71
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,C,D,E,F, G,H	2NYM	0.71
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,I	2IE3	0.71
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,F,X,Y	2NPP	0.71
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVC	0.71
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,F,G,H	3DW8	0.71
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,C,D,E,F, G,H	2NYL	0.71
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVD	0.71
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVB	0.71
CTL	CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL	A,B	2AN3	0.72
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B	1QV7	0.71
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B,C,D	1MG0	0.71
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBM	0.74
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBD	0.74
B2F	PHENYLALANINE BORONIC ACID	A,P	1P06	0.74
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBI	0.74
B2F	PHENYLALANINE BORONIC ACID	A,P	8LPR	0.74
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.8
PEA	2-PHENYLETHYLAMINE	A,B,E,F,G,H	1MHW	0.72
PEA	2-PHENYLETHYLAMINE	A	1TNJ	0.72
PEA	2-PHENYLETHYLAMINE	D,H	2HKM	0.72
PEA	2-PHENYLETHYLAMINE	A	1UTO	0.72
PEA	2-PHENYLETHYLAMINE	A,B	1D6Y	0.72
PEA	2-PHENYLETHYLAMINE	A,B	1D6Z	0.72
PEA	2-PHENYLETHYLAMINE	A,B	1D6U	0.72
PEA	2-PHENYLETHYLAMINE	A	1UTM	0.72
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.7
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.7
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.7
SS1	1-PHENYLETHANOL	H	1UM5	0.75
TRJ	META-DI(AMINOMETHYL)BENZENE	A,I	1GVV	0.71
TRJ	META-DI(AMINOMETHYL)BENZENE	A	1FQ5	0.71
MXN	(2R)-hydroxy(phenyl)ethanenitrile	A,B	3GDN	0.74
COR	2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE	A	9HVP	0.8
IOB	3-IODO-BENZYL ALCOHOL	A,B	1QK0	0.72
MFD	(2S,3S,8S,9S)-3-AMINO-9-METHOXY- 2,6,8-TRIMETHYL-10-PHENYLDECA-4,6- DIENOIC ACID	A	1AY3	0.72
4PH	4-methyl-L-phenylalanine	B,C	3BV9	0.71
HPH	PHENYLALANINDIOL	I	1E5O	0.81
HPH	PHENYLALANINDIOL	A,B	1ODX	0.81
HPH	PHENYLALANINDIOL	A,B	1MTB	0.81
HPH	PHENYLALANINDIOL	A,B	2FGV	0.81
HPH	PHENYLALANINDIOL	A	1ODW	0.81
HPH	PHENYLALANINDIOL	A,B	2FGU	0.81
HPH	PHENYLALANINDIOL	A,B	1HXB	0.81
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.75
G27	(3R,4R,5R)-5-(HYDROXYMETHYL)-1- (3-PHENYLPROPYL)PIPERIDINE-3,4- DIOL	A	2G9R	0.74
G27	(3R,4R,5R)-5-(HYDROXYMETHYL)-1- (3-PHENYLPROPYL)PIPERIDINE-3,4- DIOL	A	2G9U	0.74
NFP	3-AMINO-5-PHENYLPENTANE	A	1MEM	0.71
NFP	3-AMINO-5-PHENYLPENTANE	A,D,E	1FH0	0.71
DPN	D-PHENYLALANINE	P	1MCS	0.71
DPN	D-PHENYLALANINE	A	1GOE	0.71
DPN	D-PHENYLALANINE	A	2RM9	0.71
DPN	D-PHENYLALANINE	A	1SOC	0.71
DPN	D-PHENYLALANINE	B,C,E,F	1SFQ	0.71
DPN	D-PHENYLALANINE	I	1ABJ	0.71
DPN	D-PHENYLALANINE	P	1DWE	0.71
DPN	D-PHENYLALANINE	I,M	1HLT	0.71
DPN	D-PHENYLALANINE	A,H,L	1J9C	0.71
DPN	D-PHENYLALANINE	I,T	1TMB	0.71
DPN	D-PHENYLALANINE	A	2JRY	0.71
DPN	D-PHENYLALANINE	A	2SOC	0.71
DPN	D-PHENYLALANINE	A	2YYF	0.71
DPN	D-PHENYLALANINE	I	2HGT	0.71
DPN	D-PHENYLALANINE	A,D	2Q3I	0.71
DPN	D-PHENYLALANINE	A,P	1MCD	0.71
DPN	D-PHENYLALANINE	P	1HAO	0.71
DPN	D-PHENYLALANINE	A,B,I	1Z8J	0.71
DPN	D-PHENYLALANINE	A,B,C	2PGQ	0.71
DPN	D-PHENYLALANINE	C,D,H,I,L,M, X,Y	1DVA	0.71
DPN	D-PHENYLALANINE	P	1NRR	0.71
DPN	D-PHENYLALANINE	I	1PPB	0.71
DPN	D-PHENYLALANINE	C,D,G,H	1NU7	0.71
DPN	D-PHENYLALANINE	I	2HPP	0.71
DPN	D-PHENYLALANINE	B,C	2OD3	0.71
DPN	D-PHENYLALANINE	A	1B0Q	0.71
DPN	D-PHENYLALANINE	B,C,E,F	1NU9	0.71
DPN	D-PHENYLALANINE	A,B,I	1Z8I	0.71
DPN	D-PHENYLALANINE	H,I,J	1TMU	0.71
DPN	D-PHENYLALANINE	A,B,C,D,E,F	2DNS	0.71
DPN	D-PHENYLALANINE	A	1GO9	0.71
DPN	D-PHENYLALANINE	B,C,E,F	1A0H	0.71
DPN	D-PHENYLALANINE	P	1MCF	0.71
DPN	D-PHENYLALANINE	A	2RME	0.71
DPN	D-PHENYLALANINE	H,I	1TMT	0.71
DPN	D-PHENYLALANINE	I	1ABI	0.71
DPN	D-PHENYLALANINE	R	1NRQ	0.71
DPN	D-PHENYLALANINE	B,C,F,G	2A1D	0.71
DPN	D-PHENYLALANINE	A,B	2Q33	0.71
DPN	D-PHENYLALANINE	C,H,L	1DAN	0.71
DPN	D-PHENYLALANINE	P	1MCE	0.71
DPN	D-PHENYLALANINE	B,C,E,F	2A45	0.71
DPN	D-PHENYLALANINE	A	2RMI	0.71
DPN	D-PHENYLALANINE	A,B,I	1TQ7	0.71
DPN	D-PHENYLALANINE	A	1W7M	0.71
DPN	D-PHENYLALANINE	P	1HAP	0.71
DPN	D-PHENYLALANINE	A,B	1ORF	0.71
DPN	D-PHENYLALANINE	I	1IHS	0.71
DPN	D-PHENYLALANINE	P	1MCC	0.71
DPN	D-PHENYLALANINE	A	2RMD	0.71
DPN	D-PHENYLALANINE	A	2JQB	0.71
DPN	D-PHENYLALANINE	I	2HPQ	0.71
DPN	D-PHENYLALANINE	C,E,F	1SHH	0.71
DPN	D-PHENYLALANINE	A,I	1CVR	0.71
DPN	D-PHENYLALANINE	L,P	1AUT	0.71
DPN	D-PHENYLALANINE	P	1MCI	0.71
DPN	D-PHENYLALANINE	H,I	3F6U	0.71
DPN	D-PHENYLALANINE	A	1BFW	0.71
DPN	D-PHENYLALANINE	H,I	1HAI	0.71
DPN	D-PHENYLALANINE	B,C	2THF	0.71
DPN	D-PHENYLALANINE	I	1IHT	0.71
DPN	D-PHENYLALANINE	A,P	1MCJ	0.71
DPN	D-PHENYLALANINE	A	1TKH	0.71
DPN	D-PHENYLALANINE	C,H,L,T	2FIR	0.71
DPN	D-PHENYLALANINE	A	2FMZ	0.71
DPN	D-PHENYLALANINE	A	1YL9	0.71
DPN	D-PHENYLALANINE	I	1HUT	0.71
DPN	D-PHENYLALANINE	I	1FXY	0.71
DPN	D-PHENYLALANINE	A	1YL8	0.71
DPN	D-PHENYLALANINE	C,H,L	1QFK	0.71
DPN	D-PHENYLALANINE	P	1MCB	0.71
PDH	(2S)-2-AMINO-3-PHENYL-1-PROPANOL	A	1GQ0	0.85
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZSF	0.82
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A	1JLD	0.82
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B	1IDA	0.82
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B	1IDB	0.82
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1Z8C	0.82
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZBG	0.82
PR0	3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL	A,B,I	1ZPK	0.82
PHK	(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL- BUTAN-2-OL	A	1MU0	0.76
PHK	(2R,3S)-3-AMINO-1-CHLORO-4-PHENYL- BUTAN-2-OL	A	1XRL	0.76
24B	(2,4-DIFLUOROPHENYL)METHANOL	A,B	1QV6	0.71
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.71
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.71
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.71
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.71
HCI	HYDROCINNAMIC ACID	A	1TOI	0.71
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.71
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.71
MNN	(S)-MANDELIC ACID NITRILE	A	1YB6	0.74
269	(1R)-3-chloro-1-phenylpropan-1- ol	A	2RBS	0.7
PRA	3-PHENYLPROPYLAMINE	A	1TNK	0.73
PRA	3-PHENYLPROPYLAMINE	M	1UTL	0.73
PBN	4-PHENYLBUTYLAMINE	A	1TNI	0.73
PBN	4-PHENYLBUTYLAMINE	A	1UTP	0.73
PHL	L-PHENYLALANINOL	A,B	1JOH	0.85
PHL	L-PHENYLALANINOL	I	3APR	0.85
PHL	L-PHENYLALANINOL	A	1DLZ	0.85
PHL	L-PHENYLALANINOL	A	1IH9	0.85
PHL	L-PHENYLALANINOL	A	1OB4	0.85
PHL	L-PHENYLALANINOL	I	2ER6	0.85
PHL	L-PHENYLALANINOL	A	1R9U	0.85
PHL	L-PHENYLALANINOL	A	1OB7	0.85
PHL	L-PHENYLALANINOL	A,B	1OB6	0.85
PHL	L-PHENYLALANINOL	A,B,C	1AMT	0.85
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.71
TA2	(2R,3S)-3-AMINO-3-PHENYLPROPANE- 1,2-DIOL	A,B	2IFR	0.77
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.75
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.75
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.75
HMF	2-AMINO-4-PHENYL-BUTYRIC ACID	I,J	1AY6	0.71
HPE	HOMOPHENYLALANINE	A,B	1B1H	0.71
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	A,B,I	1ZSR	0.82
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1ZJ7	0.82
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1ZLF	0.82
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1HEG	0.82
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1FQX	0.82
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	A,B,I	1IIQ	0.82
PS0	3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL	I	1HEF	0.82
TPA	TRANS-2-PHENYLCYCLOPROPYLAMINE	A	1TNL	0.7
267	1-(azidomethyl)-3-methylbenzene	A	2RBQ	0.74