MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00000539

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
IOY	P-IODO-D-PHENYLALANINE	A	1XBU	0.77
FTY	DEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINE	C,D	1A08	0.71
FTY	DEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINE	C,D,E,F	1QZ0	0.71
FTY	DEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINE	C,D,E,F	1XXV	0.71
MCG	(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE	A,B	1ISS	0.7
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A,B	3CFQ	0.71
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A	1SV9	0.71
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A	1NR6	0.71
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A	3HWV	0.71
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	B	1DVX	0.71
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A	2B6D	0.71
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A,B,C,D	1PXX	0.71
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A	2B17	0.71
CNT	N-METHYL-META-CHLORO-TYROSINE	C,D	1OKX	0.74
FE3	4-(2-aminoethyl)-3-chlorobenzoic acid	A,B	2K1Q	0.79
PF5	2,3,4,5,6-PENTAFLUORO-L-PHENYLALANINE	A	2JM0	0.71
GHP	4-HYDROXYPHENYLGLYCINE	A	1DSR	0.74
SMF	4-SULFOMETHYL-L-PHENYLALANINE	D,H	1O0D	0.7
SMF	4-SULFOMETHYL-L-PHENYLALANINE	D,H	2FES	0.7
SMF	4-SULFOMETHYL-L-PHENYLALANINE	H,P	2ANK	0.7
SMF	4-SULFOMETHYL-L-PHENYLALANINE	D,H	2FEQ	0.7
SMF	4-SULFOMETHYL-L-PHENYLALANINE	H,P	2A2X	0.7
SMF	4-SULFOMETHYL-L-PHENYLALANINE	D,H	1NZQ	0.7
DTY	D-TYROSINE	A	1C4B	0.71
DTY	D-TYROSINE	A,L	1ZEA	0.71
DTY	D-TYROSINE	A,B,C,D,E,F, G,H	1OF6	0.71
DTY	D-TYROSINE	A,B	1UNO	0.71
DTY	D-TYROSINE	A	2IGZ	0.71
DTY	D-TYROSINE	A,B,C,H,K,L	2R5D	0.71
DTY	D-TYROSINE	A,B	2Q33	0.71
DTY	D-TYROSINE	H,S	2H9E	0.71
DTY	D-TYROSINE	A,B,C,H,K,L	2R5B	0.71
DTY	D-TYROSINE	A	2IH0	0.71
DTY	D-TYROSINE	A	1D7T	0.71
DTY	D-TYROSINE	A,B	1XA0	0.71
ZAE	N-methyl-D-phenylalanine	H,I,R	1TBZ	0.75
0A9	methyl L-phenylalaninate	A	1AY2	0.74
0A9	methyl L-phenylalaninate	I	5ER1	0.74
0A9	methyl L-phenylalaninate	I,P	1HDT	0.74
4PH	4-methyl-L-phenylalanine	B,C	3BV9	0.77
AHC	4-AMINOHYDROCINNAMIC ACID	A,B	2AY1	0.7
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
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.74
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.74
APM	M-AMIDINOPHENYL-3-ALANINE	E	1PPH	0.74
2CL	(2,6-DICHLOROPHENYL)ACETIC ACID	A	2IPW	0.79
2CL	(2,6-DICHLOROPHENYL)ACETIC ACID	A	2IS7	0.79
PG9	D-PHENYLGLYCINE	A,B,G,H	10GS	0.85
PG9	D-PHENYLGLYCINE	A,B,C,D	2B4K	0.85
FOG	(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid	I	1EED	0.7
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY5	0.75
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY8	0.75
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY9	0.75
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XXZ	0.75
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY4	0.75
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY6	0.75
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B,I,J	2FIV	0.72
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B	1B0H	0.72
ALN	NAPHTHALEN-2-YL-3-ALANINE	B	1FIV	0.72
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B,I,J	3FIV	0.72
4AF	4-ACETYL-L-PHENYLALANINE	A	1ZH6	0.74
HMF	2-AMINO-4-PHENYL-BUTYRIC ACID	I,J	1AY6	0.78
HPE	HOMOPHENYLALANINE	A,B	1B1H	0.78
T11	4-[3-(TRIFLUOROMETHYL)DIAZIRIDIN- 3-YL]-L-PHENYLALANINE	A	3D6U	0.71
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	1YYL	0.75
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	2I5Y	0.75
ING	D-[(AMINO)CARBONYL]PHENYLALANINE	A,B	1UF8	0.71
ING	D-[(AMINO)CARBONYL]PHENYLALANINE	A,B,D,E	1HDU	0.71
CS4	S-[3-(3,4-DICHLOROPHENYL)-3-OXOPROPYL]- L-CYSTEINE	A	2OQZ	0.75
4BF	4-BROMO-L-PHENYLALANINE	A	2AG6	0.73
34Z	3,4-dichlorobenzoate	X	2QVY	0.73
34Z	3,4-dichlorobenzoate	X	2QW0	0.73
FCL	3-CHLORO-L-PHENYLALANINE	E,F	1OKW	0.88
DPN	D-PHENYLALANINE	P	1MCS	0.79
DPN	D-PHENYLALANINE	A	1GOE	0.79
DPN	D-PHENYLALANINE	A	2RM9	0.79
DPN	D-PHENYLALANINE	A	1SOC	0.79
DPN	D-PHENYLALANINE	B,C,E,F	1SFQ	0.79
DPN	D-PHENYLALANINE	I	1ABJ	0.79
DPN	D-PHENYLALANINE	P	1DWE	0.79
DPN	D-PHENYLALANINE	I,M	1HLT	0.79
DPN	D-PHENYLALANINE	A,H,L	1J9C	0.79
DPN	D-PHENYLALANINE	I,T	1TMB	0.79
DPN	D-PHENYLALANINE	A	2JRY	0.79
DPN	D-PHENYLALANINE	A	2SOC	0.79
DPN	D-PHENYLALANINE	A	2YYF	0.79
DPN	D-PHENYLALANINE	I	2HGT	0.79
DPN	D-PHENYLALANINE	A,D	2Q3I	0.79
DPN	D-PHENYLALANINE	A,P	1MCD	0.79
DPN	D-PHENYLALANINE	P	1HAO	0.79
DPN	D-PHENYLALANINE	A,B,I	1Z8J	0.79
DPN	D-PHENYLALANINE	A,B,C	2PGQ	0.79
DPN	D-PHENYLALANINE	C,D,H,I,L,M, X,Y	1DVA	0.79
DPN	D-PHENYLALANINE	P	1NRR	0.79
DPN	D-PHENYLALANINE	I	1PPB	0.79
DPN	D-PHENYLALANINE	C,D,G,H	1NU7	0.79
DPN	D-PHENYLALANINE	I	2HPP	0.79
DPN	D-PHENYLALANINE	B,C	2OD3	0.79
DPN	D-PHENYLALANINE	A	1B0Q	0.79
DPN	D-PHENYLALANINE	B,C,E,F	1NU9	0.79
DPN	D-PHENYLALANINE	A,B,I	1Z8I	0.79
DPN	D-PHENYLALANINE	H,I,J	1TMU	0.79
DPN	D-PHENYLALANINE	A,B,C,D,E,F	2DNS	0.79
DPN	D-PHENYLALANINE	A	1GO9	0.79
DPN	D-PHENYLALANINE	B,C,E,F	1A0H	0.79
DPN	D-PHENYLALANINE	P	1MCF	0.79
DPN	D-PHENYLALANINE	A	2RME	0.79
DPN	D-PHENYLALANINE	H,I	1TMT	0.79
DPN	D-PHENYLALANINE	I	1ABI	0.79
DPN	D-PHENYLALANINE	R	1NRQ	0.79
DPN	D-PHENYLALANINE	B,C,F,G	2A1D	0.79
DPN	D-PHENYLALANINE	A,B	2Q33	0.79
DPN	D-PHENYLALANINE	C,H,L	1DAN	0.79
DPN	D-PHENYLALANINE	P	1MCE	0.79
DPN	D-PHENYLALANINE	B,C,E,F	2A45	0.79
DPN	D-PHENYLALANINE	A	2RMI	0.79
DPN	D-PHENYLALANINE	A,B,I	1TQ7	0.79
DPN	D-PHENYLALANINE	A	1W7M	0.79
DPN	D-PHENYLALANINE	P	1HAP	0.79
DPN	D-PHENYLALANINE	A,B	1ORF	0.79
DPN	D-PHENYLALANINE	I	1IHS	0.79
DPN	D-PHENYLALANINE	P	1MCC	0.79
DPN	D-PHENYLALANINE	A	2RMD	0.79
DPN	D-PHENYLALANINE	A	2JQB	0.79
DPN	D-PHENYLALANINE	I	2HPQ	0.79
DPN	D-PHENYLALANINE	C,E,F	1SHH	0.79
DPN	D-PHENYLALANINE	A,I	1CVR	0.79
DPN	D-PHENYLALANINE	L,P	1AUT	0.79
DPN	D-PHENYLALANINE	P	1MCI	0.79
DPN	D-PHENYLALANINE	H,I	3F6U	0.79
DPN	D-PHENYLALANINE	A	1BFW	0.79
DPN	D-PHENYLALANINE	H,I	1HAI	0.79
DPN	D-PHENYLALANINE	B,C	2THF	0.79
DPN	D-PHENYLALANINE	I	1IHT	0.79
DPN	D-PHENYLALANINE	A,P	1MCJ	0.79
DPN	D-PHENYLALANINE	A	1TKH	0.79
DPN	D-PHENYLALANINE	C,H,L,T	2FIR	0.79
DPN	D-PHENYLALANINE	A	2FMZ	0.79
DPN	D-PHENYLALANINE	A	1YL9	0.79
DPN	D-PHENYLALANINE	I	1HUT	0.79
DPN	D-PHENYLALANINE	I	1FXY	0.79
DPN	D-PHENYLALANINE	A	1YL8	0.79
DPN	D-PHENYLALANINE	C,H,L	1QFK	0.79
DPN	D-PHENYLALANINE	P	1MCB	0.79
TFQ	4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINE	A	3D6V	0.75
3BZ	3-chlorobenzoate	X	2QVZ	0.71
3BZ	3-chlorobenzoate	X	2QVX	0.71
1PA	PHENYLMETHYLACETIC ACID ALANINE	I	1BHF	0.8
PFF	4-FLUORO-L-PHENYLALANINE	A	3F3C	0.77
PFF	4-FLUORO-L-PHENYLALANINE	A,C,E,F	2UUE	0.77
PFF	4-FLUORO-L-PHENYLALANINE	A	1ZNT	0.77
PFF	4-FLUORO-L-PHENYLALANINE	F,H	1OL1	0.77
PFF	4-FLUORO-L-PHENYLALANINE	A,C,F,H	2C5V	0.77
PFF	4-FLUORO-L-PHENYLALANINE	E,F	1OL2	0.77
200	4-CHLORO-L-PHENYLALANINE	A,B	2AKW	0.87
APD	3-METHYLPHENYLALANINE	A,B,C	1GMY	0.77
NDF	N-(CARBOXYCARBONYL)-D-PHENYLALANINE	A	1YCI	0.7
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3S	0.71
ZAB	(3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B,C,D	2H4B	0.71
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,M,N	1FJM	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVA	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1LCM	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,C,D,E,F, G,H	2NYM	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,I	2IE3	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,F,X,Y	2NPP	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVC	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,F,G,H	3DW8	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,C,D,E,F, G,H	2NYL	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVD	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVB	0.7
CXA	PHENYLALANINE-N-SULFONAMIDE	A	1IY7	0.76
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A	1DSR	0.74
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.74
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.74
MPQ	N-METHYL-ALPHA-PHENYL-GLYCINE	D	1D6E	0.8
NPG	N-SUCCINYL PHENYLGLYCINE	A,B,C,D	1SJD	0.73
CHP	3-CHLORO-4-HYDROXYPHENYLGLYCINE	A	1DSR	0.8
MEA	N-METHYLPHENYLALANINE	A	2PIL	0.75
MEA	N-METHYLPHENYLALANINE	A,B,C,D	1H0I	0.75
MEA	N-METHYLPHENYLALANINE	A,B,I	1DOJ	0.75
EAB	(3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID	A,B	2H3T	0.71
PHI	IODO-PHENYLALANINE	A	1TF9	0.77
PHI	IODO-PHENYLALANINE	A,B,C,D	1ORW	0.77
PHI	IODO-PHENYLALANINE	A	1T6H	0.77
PHI	IODO-PHENYLALANINE	A,B,C	1NLU	0.77
PHI	IODO-PHENYLALANINE	A,I	1GA1	0.77
PHI	IODO-PHENYLALANINE	A,I	1GA4	0.77
PHI	IODO-PHENYLALANINE	P	1CZI	0.77
PM3	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID	A,L,M	3FEA	0.73
PM3	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID	P	1CWD	0.73
PM3	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID	L	3FE7	0.73
PM3	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID	B	2GV2	0.73
PM3	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID	B,D	1CWE	0.73
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2FR9	0.72
PBF	PARA-(BENZOYL)-PHENYLALANINE	A,B	1EEN	0.72
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2HGZ	0.72
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2FRB	0.72
APH	P-AMIDINOPHENYL-3-ALANINE	E,I	1PPC	0.74
APH	P-AMIDINOPHENYL-3-ALANINE	H	1ETS	0.74
APH	P-AMIDINOPHENYL-3-ALANINE	H	1ETT	0.74
APH	P-AMIDINOPHENYL-3-ALANINE	I	1QUR	0.74
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2ITK	0.72
NAL	BETA-(2-NAPHTHYL)-ALANINE	H,I	4THN	0.72
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2Q5A	0.72
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1ZWU	0.72
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1SKL	0.72
NAL	BETA-(2-NAPHTHYL)-ALANINE	H,I	5GDS	0.72
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1ZH0	0.72
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2JT9	0.72
IGL	ALPHA-AMINO-2-INDANACETIC ACID	A	1BDK	0.73