MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03246679

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
HPE	HOMOPHENYLALANINE	A,B	1B1H	0.74
IOY	P-IODO-D-PHENYLALANINE	A	1XBU	0.72
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B,I,J	2FIV	0.85
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B	1B0H	0.85
ALN	NAPHTHALEN-2-YL-3-ALANINE	B	1FIV	0.85
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B,I,J	3FIV	0.85
HMF	2-AMINO-4-PHENYL-BUTYRIC ACID	I,J	1AY6	0.74
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.77
RPR		A	1F0U	0.7
RPR		A	1EZQ	0.7
MEA	N-METHYLPHENYLALANINE	A	2PIL	0.71
MEA	N-METHYLPHENYLALANINE	A,B,C,D	1H0I	0.71
MEA	N-METHYLPHENYLALANINE	A,B,I	1DOJ	0.71
BFL		A,B	1Q4G	0.76
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.8
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.8
MPQ	N-METHYL-ALPHA-PHENYL-GLYCINE	D	1D6E	0.7
PM3	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID	A,L,M	3FEA	0.71
PM3	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID	P	1CWD	0.71
PM3	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID	L	3FE7	0.71
PM3	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID	B	2GV2	0.71
PM3	2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID	B,D	1CWE	0.71
SRB	L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID	B,C	3VGC	0.7
4PH	4-methyl-L-phenylalanine	B,C	3BV9	0.77
NAM	NAM NAPTHYLAMINOALANINE	A,B,I,J	3FIV	0.76
NAM	NAM NAPTHYLAMINOALANINE	A,B,I,J	2FIV	0.76
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
4AF	4-ACETYL-L-PHENYLALANINE	A	1ZH6	0.73
201	3-AMIDO-5-BIPHENYL-BENZOIC ACID	A	2B0M	0.7
0A9	methyl L-phenylalaninate	A	1AY2	0.78
0A9	methyl L-phenylalaninate	I	5ER1	0.78
0A9	methyl L-phenylalaninate	I,P	1HDT	0.78
DPN	D-PHENYLALANINE	P	1MCS	0.74
DPN	D-PHENYLALANINE	A	1GOE	0.74
DPN	D-PHENYLALANINE	A	2RM9	0.74
DPN	D-PHENYLALANINE	A	1SOC	0.74
DPN	D-PHENYLALANINE	B,C,E,F	1SFQ	0.74
DPN	D-PHENYLALANINE	I	1ABJ	0.74
DPN	D-PHENYLALANINE	P	1DWE	0.74
DPN	D-PHENYLALANINE	I,M	1HLT	0.74
DPN	D-PHENYLALANINE	A,H,L	1J9C	0.74
DPN	D-PHENYLALANINE	I,T	1TMB	0.74
DPN	D-PHENYLALANINE	A	2JRY	0.74
DPN	D-PHENYLALANINE	A	2SOC	0.74
DPN	D-PHENYLALANINE	A	2YYF	0.74
DPN	D-PHENYLALANINE	I	2HGT	0.74
DPN	D-PHENYLALANINE	A,D	2Q3I	0.74
DPN	D-PHENYLALANINE	A,P	1MCD	0.74
DPN	D-PHENYLALANINE	P	1HAO	0.74
DPN	D-PHENYLALANINE	A,B,I	1Z8J	0.74
DPN	D-PHENYLALANINE	A,B,C	2PGQ	0.74
DPN	D-PHENYLALANINE	C,D,H,I,L,M, X,Y	1DVA	0.74
DPN	D-PHENYLALANINE	P	1NRR	0.74
DPN	D-PHENYLALANINE	I	1PPB	0.74
DPN	D-PHENYLALANINE	C,D,G,H	1NU7	0.74
DPN	D-PHENYLALANINE	I	2HPP	0.74
DPN	D-PHENYLALANINE	B,C	2OD3	0.74
DPN	D-PHENYLALANINE	A	1B0Q	0.74
DPN	D-PHENYLALANINE	B,C,E,F	1NU9	0.74
DPN	D-PHENYLALANINE	A,B,I	1Z8I	0.74
DPN	D-PHENYLALANINE	H,I,J	1TMU	0.74
DPN	D-PHENYLALANINE	A,B,C,D,E,F	2DNS	0.74
DPN	D-PHENYLALANINE	A	1GO9	0.74
DPN	D-PHENYLALANINE	B,C,E,F	1A0H	0.74
DPN	D-PHENYLALANINE	P	1MCF	0.74
DPN	D-PHENYLALANINE	A	2RME	0.74
DPN	D-PHENYLALANINE	H,I	1TMT	0.74
DPN	D-PHENYLALANINE	I	1ABI	0.74
DPN	D-PHENYLALANINE	R	1NRQ	0.74
DPN	D-PHENYLALANINE	B,C,F,G	2A1D	0.74
DPN	D-PHENYLALANINE	A,B	2Q33	0.74
DPN	D-PHENYLALANINE	C,H,L	1DAN	0.74
DPN	D-PHENYLALANINE	P	1MCE	0.74
DPN	D-PHENYLALANINE	B,C,E,F	2A45	0.74
DPN	D-PHENYLALANINE	A	2RMI	0.74
DPN	D-PHENYLALANINE	A,B,I	1TQ7	0.74
DPN	D-PHENYLALANINE	A	1W7M	0.74
DPN	D-PHENYLALANINE	P	1HAP	0.74
DPN	D-PHENYLALANINE	A,B	1ORF	0.74
DPN	D-PHENYLALANINE	I	1IHS	0.74
DPN	D-PHENYLALANINE	P	1MCC	0.74
DPN	D-PHENYLALANINE	A	2RMD	0.74
DPN	D-PHENYLALANINE	A	2JQB	0.74
DPN	D-PHENYLALANINE	I	2HPQ	0.74
DPN	D-PHENYLALANINE	C,E,F	1SHH	0.74
DPN	D-PHENYLALANINE	A,I	1CVR	0.74
DPN	D-PHENYLALANINE	L,P	1AUT	0.74
DPN	D-PHENYLALANINE	P	1MCI	0.74
DPN	D-PHENYLALANINE	H,I	3F6U	0.74
DPN	D-PHENYLALANINE	A	1BFW	0.74
DPN	D-PHENYLALANINE	H,I	1HAI	0.74
DPN	D-PHENYLALANINE	B,C	2THF	0.74
DPN	D-PHENYLALANINE	I	1IHT	0.74
DPN	D-PHENYLALANINE	A,P	1MCJ	0.74
DPN	D-PHENYLALANINE	A	1TKH	0.74
DPN	D-PHENYLALANINE	C,H,L,T	2FIR	0.74
DPN	D-PHENYLALANINE	A	2FMZ	0.74
DPN	D-PHENYLALANINE	A	1YL9	0.74
DPN	D-PHENYLALANINE	I	1HUT	0.74
DPN	D-PHENYLALANINE	I	1FXY	0.74
DPN	D-PHENYLALANINE	A	1YL8	0.74
DPN	D-PHENYLALANINE	C,H,L	1QFK	0.74
DPN	D-PHENYLALANINE	P	1MCB	0.74
B3Y	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID	A	3HF0	0.7
B3Y	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID	A	2OXK	0.7
B3Y	(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACID	A,B,C	2OXJ	0.7
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.73
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.73
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.74
FLP	FLURBIPROFEN	A,B	1CQE	0.74
FLP	FLURBIPROFEN	A,B	1EQH	0.74
FLP	FLURBIPROFEN	A,B	2AYL	0.74
FLP	FLURBIPROFEN	A	1DVT	0.74
FLP	FLURBIPROFEN	A	1R9O	0.74
235	(2S)-2-[3-(AMINOMETHYL)PHENYL]- 3-[(R)-HYDROXY{(1R)-2-METHYL-1- [(PHENYLSULFONYL)AMINO]PROPYL}PHOSPHORYL]PROPANOIC ACID	A,B,C	2PJ7	0.7
NHL	(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID	A	2OHV	0.79
NPS	(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid	A	2VDB	0.71
IN4	+/-METHYL 4-(AMINOIMINOMETHYL)- BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE	A	1AZ8	0.74
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.72
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.72
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.72
SRD	D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID	B,C	4VGC	0.7
IBP	IBUPROFEN	A	3FKX	0.72
IBP	IBUPROFEN	A,B	2BXG	0.72
IBP	IBUPROFEN	A,B	1EQG	0.72
IBP	IBUPROFEN	A,B,C	2WD9	0.72
IBP	IBUPROFEN	A	2PWS	0.72
059	(2S)-2-[3-(AMINOMETHYL)PHENYL]- 3-{(S)-HYDROXY[(1R)-2-METHYL-1- {[(2-PHENYLETHYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID	A	2PJ6	0.71
1PA	PHENYLMETHYLACETIC ACID ALANINE	I	1BHF	0.78
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	0.74
BJP	(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID	A	1ERO	0.7
PP6	METHYL[CYCLO-7[(2R)-((N-VALYL)AMINO)- 2-(HYDROXYL-(1S)-1-METHYLOXYCARBONYL- 2-PHENYLETHOXY)PHOSPHINYLOXY-ETHYL]- 1-NAPHTHALENEACETAMIDE]	A	2WED	0.71
PP6	METHYL[CYCLO-7[(2R)-((N-VALYL)AMINO)- 2-(HYDROXYL-(1S)-1-METHYLOXYCARBONYL- 2-PHENYLETHOXY)PHOSPHINYLOXY-ETHYL]- 1-NAPHTHALENEACETAMIDE]	A	2WEA	0.71
PG9	D-PHENYLGLYCINE	A,B,G,H	10GS	0.74
PG9	D-PHENYLGLYCINE	A,B,C,D	2B4K	0.74
TFQ	4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINE	A	3D6V	0.73
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.74
528	(2S)-2-[3-(AMINOMETHYL)PHENYL]- 3-{(R)-HYDROXY[(1R)-2-METHYL-1- {[(3-PHENYLPROPYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID	A,B,C	2PIY	0.71
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.71
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	1YYL	0.79
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	2I5Y	0.79
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2ITK	0.85
NAL	BETA-(2-NAPHTHYL)-ALANINE	H,I	4THN	0.85
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2Q5A	0.85
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1ZWU	0.85
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1SKL	0.85
NAL	BETA-(2-NAPHTHYL)-ALANINE	H,I	5GDS	0.85
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1ZH0	0.85
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2JT9	0.85
PP4	METHYL (2S)-[1-((N-FORMYL)-L-VALYL)AMINO- 2-(2-NAPHTHYL)ETHYL)HYDROXYPHOSPHINYLOXY]- 3-PHENYL PROPANOATE	A	2WEB	0.7
BEY	(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]- 2-benzylpropanoic acid	A	3EBI	0.73
PP5	METHYL (2S)-[1-((N-(NAPHTHALENEACETYL))- L-VALYL)AMINOMETHYL)HYDROXYPHOSPHINYLOXY]- 3-PHENYL PROPANOATE	A	2WEC	0.71
PFF	4-FLUORO-L-PHENYLALANINE	A	3F3C	0.72
PFF	4-FLUORO-L-PHENYLALANINE	A,C,E,F	2UUE	0.72
PFF	4-FLUORO-L-PHENYLALANINE	A	1ZNT	0.72
PFF	4-FLUORO-L-PHENYLALANINE	F,H	1OL1	0.72
PFF	4-FLUORO-L-PHENYLALANINE	A,C,F,H	2C5V	0.72
PFF	4-FLUORO-L-PHENYLALANINE	E,F	1OL2	0.72
APD	3-METHYLPHENYLALANINE	A,B,C	1GMY	0.77
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2FR9	0.74
PBF	PARA-(BENZOYL)-PHENYLALANINE	A,B	1EEN	0.74
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2HGZ	0.74
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2FRB	0.74
23N	(2R)-2-benzyl-3-nitropropanoic acid	A	2RFH	0.71
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.73
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.73
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,M,N	1FJM	0.78
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVA	0.78
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1LCM	0.78
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,C,D,E,F, G,H	2NYM	0.78
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,I	2IE3	0.78
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,F,X,Y	2NPP	0.78
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVC	0.78
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,F,G,H	3DW8	0.78
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,C,D,E,F, G,H	2NYL	0.78
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVD	0.78
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVB	0.78
MFD	(2S,3S,8S,9S)-3-AMINO-9-METHOXY- 2,6,8-TRIMETHYL-10-PHENYLDECA-4,6- DIENOIC ACID	A	1AY3	0.74
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.75
CXA	PHENYLALANINE-N-SULFONAMIDE	A	1IY7	0.71
LLG	2-aminoethyl naphthalen-1-ylacetate	A	3BC4	0.89
IGL	ALPHA-AMINO-2-INDANACETIC ACID	A	1BDK	0.75
PHI	IODO-PHENYLALANINE	A	1TF9	0.72
PHI	IODO-PHENYLALANINE	A,B,C,D	1ORW	0.72
PHI	IODO-PHENYLALANINE	A	1T6H	0.72
PHI	IODO-PHENYLALANINE	A,B,C	1NLU	0.72
PHI	IODO-PHENYLALANINE	A,I	1GA1	0.72
PHI	IODO-PHENYLALANINE	A,I	1GA4	0.72
PHI	IODO-PHENYLALANINE	P	1CZI	0.72
ZAE	N-methyl-D-phenylalanine	H,I,R	1TBZ	0.71