MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03039177

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
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B,I,J	2FIV	0.73
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B	1B0H	0.73
ALN	NAPHTHALEN-2-YL-3-ALANINE	B	1FIV	0.73
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B,I,J	3FIV	0.73
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.72
DGH	(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.72
IBP	IBUPROFEN	A	3FKX	0.73
IBP	IBUPROFEN	A,B	2BXG	0.73
IBP	IBUPROFEN	A,B	1EQG	0.73
IBP	IBUPROFEN	A,B,C	2WD9	0.73
IBP	IBUPROFEN	A	2PWS	0.73
CXA	PHENYLALANINE-N-SULFONAMIDE	A	1IY7	0.75
PTM	ALPHA-METHYL-O-PHOSPHOTYROSINE	H,L	1JYQ	0.72
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	1YYL	0.77
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	2I5Y	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
FCL	3-CHLORO-L-PHENYLALANINE	E,F	1OKW	0.86
PFF	4-FLUORO-L-PHENYLALANINE	A	3F3C	0.76
PFF	4-FLUORO-L-PHENYLALANINE	A,C,E,F	2UUE	0.76
PFF	4-FLUORO-L-PHENYLALANINE	A	1ZNT	0.76
PFF	4-FLUORO-L-PHENYLALANINE	F,H	1OL1	0.76
PFF	4-FLUORO-L-PHENYLALANINE	A,C,F,H	2C5V	0.76
PFF	4-FLUORO-L-PHENYLALANINE	E,F	1OL2	0.76
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.75
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.75
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.75
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.7
FLP	FLURBIPROFEN	A,B	1CQE	0.7
FLP	FLURBIPROFEN	A,B	1EQH	0.7
FLP	FLURBIPROFEN	A,B	2AYL	0.7
FLP	FLURBIPROFEN	A	1DVT	0.7
FLP	FLURBIPROFEN	A	1R9O	0.7
2CL	(2,6-DICHLOROPHENYL)ACETIC ACID	A	2IPW	0.8
2CL	(2,6-DICHLOROPHENYL)ACETIC ACID	A	2IS7	0.8
APD	3-METHYLPHENYLALANINE	A,B,C	1GMY	0.79
ZAE	N-methyl-D-phenylalanine	H,I,R	1TBZ	0.75
CNT	N-METHYL-META-CHLORO-TYROSINE	C,D	1OKX	0.73
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
APA	AMIDO PHENYL PYRUVIC ACID	H,I	1AHT	0.72
APA	AMIDO PHENYL PYRUVIC ACID	A,B,C,D	1A0L	0.72
APA	AMIDO PHENYL PYRUVIC ACID	A	1TPP	0.72
DPN	D-PHENYLALANINE	P	1MCS	0.78
DPN	D-PHENYLALANINE	A	1GOE	0.78
DPN	D-PHENYLALANINE	A	2RM9	0.78
DPN	D-PHENYLALANINE	A	1SOC	0.78
DPN	D-PHENYLALANINE	B,C,E,F	1SFQ	0.78
DPN	D-PHENYLALANINE	I	1ABJ	0.78
DPN	D-PHENYLALANINE	P	1DWE	0.78
DPN	D-PHENYLALANINE	I,M	1HLT	0.78
DPN	D-PHENYLALANINE	A,H,L	1J9C	0.78
DPN	D-PHENYLALANINE	I,T	1TMB	0.78
DPN	D-PHENYLALANINE	A	2JRY	0.78
DPN	D-PHENYLALANINE	A	2SOC	0.78
DPN	D-PHENYLALANINE	A	2YYF	0.78
DPN	D-PHENYLALANINE	I	2HGT	0.78
DPN	D-PHENYLALANINE	A,D	2Q3I	0.78
DPN	D-PHENYLALANINE	A,P	1MCD	0.78
DPN	D-PHENYLALANINE	P	1HAO	0.78
DPN	D-PHENYLALANINE	A,B,I	1Z8J	0.78
DPN	D-PHENYLALANINE	A,B,C	2PGQ	0.78
DPN	D-PHENYLALANINE	C,D,H,I,L,M, X,Y	1DVA	0.78
DPN	D-PHENYLALANINE	P	1NRR	0.78
DPN	D-PHENYLALANINE	I	1PPB	0.78
DPN	D-PHENYLALANINE	C,D,G,H	1NU7	0.78
DPN	D-PHENYLALANINE	I	2HPP	0.78
DPN	D-PHENYLALANINE	B,C	2OD3	0.78
DPN	D-PHENYLALANINE	A	1B0Q	0.78
DPN	D-PHENYLALANINE	B,C,E,F	1NU9	0.78
DPN	D-PHENYLALANINE	A,B,I	1Z8I	0.78
DPN	D-PHENYLALANINE	H,I,J	1TMU	0.78
DPN	D-PHENYLALANINE	A,B,C,D,E,F	2DNS	0.78
DPN	D-PHENYLALANINE	A	1GO9	0.78
DPN	D-PHENYLALANINE	B,C,E,F	1A0H	0.78
DPN	D-PHENYLALANINE	P	1MCF	0.78
DPN	D-PHENYLALANINE	A	2RME	0.78
DPN	D-PHENYLALANINE	H,I	1TMT	0.78
DPN	D-PHENYLALANINE	I	1ABI	0.78
DPN	D-PHENYLALANINE	R	1NRQ	0.78
DPN	D-PHENYLALANINE	B,C,F,G	2A1D	0.78
DPN	D-PHENYLALANINE	A,B	2Q33	0.78
DPN	D-PHENYLALANINE	C,H,L	1DAN	0.78
DPN	D-PHENYLALANINE	P	1MCE	0.78
DPN	D-PHENYLALANINE	B,C,E,F	2A45	0.78
DPN	D-PHENYLALANINE	A	2RMI	0.78
DPN	D-PHENYLALANINE	A,B,I	1TQ7	0.78
DPN	D-PHENYLALANINE	A	1W7M	0.78
DPN	D-PHENYLALANINE	P	1HAP	0.78
DPN	D-PHENYLALANINE	A,B	1ORF	0.78
DPN	D-PHENYLALANINE	I	1IHS	0.78
DPN	D-PHENYLALANINE	P	1MCC	0.78
DPN	D-PHENYLALANINE	A	2RMD	0.78
DPN	D-PHENYLALANINE	A	2JQB	0.78
DPN	D-PHENYLALANINE	I	2HPQ	0.78
DPN	D-PHENYLALANINE	C,E,F	1SHH	0.78
DPN	D-PHENYLALANINE	A,I	1CVR	0.78
DPN	D-PHENYLALANINE	L,P	1AUT	0.78
DPN	D-PHENYLALANINE	P	1MCI	0.78
DPN	D-PHENYLALANINE	H,I	3F6U	0.78
DPN	D-PHENYLALANINE	A	1BFW	0.78
DPN	D-PHENYLALANINE	H,I	1HAI	0.78
DPN	D-PHENYLALANINE	B,C	2THF	0.78
DPN	D-PHENYLALANINE	I	1IHT	0.78
DPN	D-PHENYLALANINE	A,P	1MCJ	0.78
DPN	D-PHENYLALANINE	A	1TKH	0.78
DPN	D-PHENYLALANINE	C,H,L,T	2FIR	0.78
DPN	D-PHENYLALANINE	A	2FMZ	0.78
DPN	D-PHENYLALANINE	A	1YL9	0.78
DPN	D-PHENYLALANINE	I	1HUT	0.78
DPN	D-PHENYLALANINE	I	1FXY	0.78
DPN	D-PHENYLALANINE	A	1YL8	0.78
DPN	D-PHENYLALANINE	C,H,L	1QFK	0.78
DPN	D-PHENYLALANINE	P	1MCB	0.78
200	4-CHLORO-L-PHENYLALANINE	A,B	2AKW	0.86
HPE	HOMOPHENYLALANINE	A,B	1B1H	0.77
HMF	2-AMINO-4-PHENYL-BUTYRIC ACID	I,J	1AY6	0.77
PHI	IODO-PHENYLALANINE	A	1TF9	0.76
PHI	IODO-PHENYLALANINE	A,B,C,D	1ORW	0.76
PHI	IODO-PHENYLALANINE	A	1T6H	0.76
PHI	IODO-PHENYLALANINE	A,B,C	1NLU	0.76
PHI	IODO-PHENYLALANINE	A,I	1GA1	0.76
PHI	IODO-PHENYLALANINE	A,I	1GA4	0.76
PHI	IODO-PHENYLALANINE	P	1CZI	0.76
APM	M-AMIDINOPHENYL-3-ALANINE	E	1PPH	0.74
TFQ	4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINE	A	3D6V	0.76
4AF	4-ACETYL-L-PHENYLALANINE	A	1ZH6	0.75
FOG	(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid	I	1EED	0.7
GHP	4-HYDROXYPHENYLGLYCINE	A	1DSR	0.72
FE3	4-(2-aminoethyl)-3-chlorobenzoic acid	A,B	2K1Q	0.8
AHC	4-AMINOHYDROCINNAMIC ACID	A,B	2AY1	0.75
T11	4-[3-(TRIFLUOROMETHYL)DIAZIRIDIN- 3-YL]-L-PHENYLALANINE	A	3D6U	0.71
CHP	3-CHLORO-4-HYDROXYPHENYLGLYCINE	A	1DSR	0.76
PSA	3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID	I	1EPL	0.72
PSA	3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID	A,B,C,D	2IFW	0.72
PSA	3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID	E,I	1EPM	0.72
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A	1DSR	0.72
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H	1W7R	0.72
D4P	(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	1W7Q	0.72
MCG	(S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE	A,B	1ISS	0.81
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.71
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.71
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.71
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.71
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.71
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.71
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.71
PAC	2-PHENYLACETIC ACID	B	1PNL	0.73
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.73
PAC	2-PHENYLACETIC ACID	B	1FXH	0.73
PAC	2-PHENYLACETIC ACID	A	2ISF	0.73
PAC	2-PHENYLACETIC ACID	A	2INE	0.73
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.71
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2ITK	0.73
NAL	BETA-(2-NAPHTHYL)-ALANINE	H,I	4THN	0.73
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2Q5A	0.73
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1ZWU	0.73
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1SKL	0.73
NAL	BETA-(2-NAPHTHYL)-ALANINE	H,I	5GDS	0.73
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1ZH0	0.73
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2JT9	0.73
3BZ	3-chlorobenzoate	X	2QVZ	0.71
3BZ	3-chlorobenzoate	X	2QVX	0.71
1PA	PHENYLMETHYLACETIC ACID ALANINE	I	1BHF	0.8
791	2-PHENYLMALONIC ACID	A	1O4P	0.71
NPG	N-SUCCINYL PHENYLGLYCINE	A,B,C,D	1SJD	0.72
4PH	4-methyl-L-phenylalanine	B,C	3BV9	0.79
SMF	4-SULFOMETHYL-L-PHENYLALANINE	D,H	1O0D	0.71
SMF	4-SULFOMETHYL-L-PHENYLALANINE	D,H	2FES	0.71
SMF	4-SULFOMETHYL-L-PHENYLALANINE	H,P	2ANK	0.71
SMF	4-SULFOMETHYL-L-PHENYLALANINE	D,H	2FEQ	0.71
SMF	4-SULFOMETHYL-L-PHENYLALANINE	H,P	2A2X	0.71
SMF	4-SULFOMETHYL-L-PHENYLALANINE	D,H	1NZQ	0.71
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY5	0.76
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY8	0.76
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY9	0.76
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XXZ	0.76
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY4	0.76
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY6	0.76
DTY	D-TYROSINE	A	1C4B	0.7
DTY	D-TYROSINE	A,L	1ZEA	0.7
DTY	D-TYROSINE	A,B,C,D,E,F, G,H	1OF6	0.7
DTY	D-TYROSINE	A,B	1UNO	0.7
DTY	D-TYROSINE	A	2IGZ	0.7
DTY	D-TYROSINE	A,B,C,H,K,L	2R5D	0.7
DTY	D-TYROSINE	A,B	2Q33	0.7
DTY	D-TYROSINE	H,S	2H9E	0.7
DTY	D-TYROSINE	A,B,C,H,K,L	2R5B	0.7
DTY	D-TYROSINE	A	2IH0	0.7
DTY	D-TYROSINE	A	1D7T	0.7
DTY	D-TYROSINE	A,B	1XA0	0.7
BFL		A,B	1Q4G	0.72
174	4-CHLORO-BENZOIC ACID	X	3DLP	0.71
174	4-CHLORO-BENZOIC ACID	X	1T5D	0.71
IOY	P-IODO-D-PHENYLALANINE	A	1XBU	0.76
MPQ	N-METHYL-ALPHA-PHENYL-GLYCINE	D	1D6E	0.79
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.72
IGL	ALPHA-AMINO-2-INDANACETIC ACID	A	1BDK	0.74
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
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A,B	3CFQ	0.74
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A	1SV9	0.74
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A	1NR6	0.74
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A	3HWV	0.74
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	B	1DVX	0.74
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A	2B6D	0.74
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A,B,C,D	1PXX	0.74
DIF	2-[2,6-DICHLOROPHENYL)AMINO]BENZENEACETIC ACID	A	2B17	0.74
4BF	4-BROMO-L-PHENYLALANINE	A	2AG6	0.72
PG9	D-PHENYLGLYCINE	A,B,G,H	10GS	0.83
PG9	D-PHENYLGLYCINE	A,B,C,D	2B4K	0.83
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
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,M,N	1FJM	0.72
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVA	0.72
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1LCM	0.72
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,C,D,E,F, G,H	2NYM	0.72
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,I	2IE3	0.72
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,F,X,Y	2NPP	0.72
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVC	0.72
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,F,G,H	3DW8	0.72
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,C,D,E,F, G,H	2NYL	0.72
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVD	0.72
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVB	0.72