MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02860199

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
PG9	D-PHENYLGLYCINE	A,B,G,H	10GS	0.7
PG9	D-PHENYLGLYCINE	A,B,C,D	2B4K	0.7
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.78
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.78
TTB	4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID	A	1XAP	0.75
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	1YYL	0.72
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	2I5Y	0.72
BFL		A,B	1Q4G	0.76
APD	3-METHYLPHENYLALANINE	A,B,C	1GMY	0.71
IBP	IBUPROFEN	A	3FKX	0.75
IBP	IBUPROFEN	A,B	2BXG	0.75
IBP	IBUPROFEN	A,B	1EQG	0.75
IBP	IBUPROFEN	A,B,C	2WD9	0.75
IBP	IBUPROFEN	A	2PWS	0.75
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.79
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.74
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.74
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.74
254	6-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FD0	0.72
791	2-PHENYLMALONIC ACID	A	1O4P	0.7
IGL	ALPHA-AMINO-2-INDANACETIC ACID	A	1BDK	0.71
184	6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FCX	0.72
LLG	2-aminoethyl naphthalen-1-ylacetate	A	3BC4	0.76
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.82
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.82
BJP	(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID	A	1ERO	0.72
PAC	2-PHENYLACETIC ACID	B	1PNL	0.71
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.71
PAC	2-PHENYLACETIC ACID	B	1FXH	0.71
PAC	2-PHENYLACETIC ACID	A	2ISF	0.71
PAC	2-PHENYLACETIC ACID	A	2INE	0.71
201	3-AMIDO-5-BIPHENYL-BENZOIC ACID	A	2B0M	0.7
156	4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID	A	1FCZ	0.74
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
564	6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID	A	1FCY	0.74
OIN	(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT- 3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE	A	1TH6	0.73
OIN	(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT- 3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE	A	2ARM	0.73
HMF	2-AMINO-4-PHENYL-BUTYRIC ACID	I,J	1AY6	0.7
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.76
ZAE	N-methyl-D-phenylalanine	H,I,R	1TBZ	0.7
HPE	HOMOPHENYLALANINE	A,B	1B1H	0.7
MEA	N-METHYLPHENYLALANINE	A	2PIL	0.7
MEA	N-METHYLPHENYLALANINE	A,B,C,D	1H0I	0.7
MEA	N-METHYLPHENYLALANINE	A,B,I	1DOJ	0.7
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
WH6	2-[(1R)-2-carboxy-1-(naphthalen- 1-ylmethyl)ethyl]-1,3-dioxo-2,3- dihydro-1H-isoindole-5-carboxylic acid	A,B	2R9X	0.7
BR4	6-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)- HEXANOIC ACID	A	1KQU	0.73
MPQ	N-METHYL-ALPHA-PHENYL-GLYCINE	D	1D6E	0.71
FRF	PHE-REDUCED-PHE	A,I	1GVX	0.71
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.71
NHL	(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID	A	2OHV	0.77
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.74
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.74
DAI	(3AS,9AS)-2-PENTYL-4-HYDROXYMETHYL- 3A,4,9,9A-TETRAHYDRO-4,9[1',2']- BENZENO-1H-BENZ[F]ISOINDOLE-1,3(2H)- DIONE	A,B,C,D	1YLS	0.75
DAI	(3AS,9AS)-2-PENTYL-4-HYDROXYMETHYL- 3A,4,9,9A-TETRAHYDRO-4,9[1',2']- BENZENO-1H-BENZ[F]ISOINDOLE-1,3(2H)- DIONE	A,B,C,D	1YKV	0.75
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2ITK	0.77
NAL	BETA-(2-NAPHTHYL)-ALANINE	H,I	4THN	0.77
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2Q5A	0.77
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1ZWU	0.77
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1SKL	0.77
NAL	BETA-(2-NAPHTHYL)-ALANINE	H,I	5GDS	0.77
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1ZH0	0.77
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2JT9	0.77
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B,I,J	2FIV	0.79
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B	1B0H	0.79
ALN	NAPHTHALEN-2-YL-3-ALANINE	B	1FIV	0.79
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B,I,J	3FIV	0.79
1PA	PHENYLMETHYLACETIC ACID ALANINE	I	1BHF	0.71
BEY	(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]- 2-benzylpropanoic acid	A	3EBI	0.72
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