MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02860225

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
S1S	2-(4-((9S,10S,14S,Z)-18-(2-AMINO- 2-OXOETHYL)-9-(CARBOXYMETHYL)-14- (NAPHTHALEN-1-YLMETHYL)-8,17,20- TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS- 11-EN-10-YL)PHENYL)MALONIC ACID	A,B,C,D	2AOB	0.71
S1S	2-(4-((9S,10S,14S,Z)-18-(2-AMINO- 2-OXOETHYL)-9-(CARBOXYMETHYL)-14- (NAPHTHALEN-1-YLMETHYL)-8,17,20- TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS- 11-EN-10-YL)PHENYL)MALONIC ACID	A,B	2AOA	0.71
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.78
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.78
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	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
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.7
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.7
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.7
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.7
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.7
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.7
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.7
BFL		A,B	1Q4G	0.76
FRF	PHE-REDUCED-PHE	A,I	1GVX	0.72
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.7
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.83
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.83
MPQ	N-METHYL-ALPHA-PHENYL-GLYCINE	D	1D6E	0.72
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
BJP	(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID	A	1ERO	0.73
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY5	0.7
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY8	0.7
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY9	0.7
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XXZ	0.7
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY4	0.7
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY6	0.7
IBP	IBUPROFEN	A	3FKX	0.74
IBP	IBUPROFEN	A,B	2BXG	0.74
IBP	IBUPROFEN	A,B	1EQG	0.74
IBP	IBUPROFEN	A,B,C	2WD9	0.74
IBP	IBUPROFEN	A	2PWS	0.74
IGL	ALPHA-AMINO-2-INDANACETIC ACID	A	1BDK	0.71
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
1PA	PHENYLMETHYLACETIC ACID ALANINE	I	1BHF	0.72
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	1YYL	0.74
BIF	(R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID	G,M,P,S	2I5Y	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	0.73
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.8
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
184	6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FCX	0.73
NHL	(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID	A	2OHV	0.79
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
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
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2ITK	0.79
NAL	BETA-(2-NAPHTHYL)-ALANINE	H,I	4THN	0.79
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2Q5A	0.79
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1ZWU	0.79
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1SKL	0.79
NAL	BETA-(2-NAPHTHYL)-ALANINE	H,I	5GDS	0.79
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1ZH0	0.79
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2JT9	0.79
564	6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID	A	1FCY	0.75
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.76
156	4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID	A	1FCZ	0.75
TTB	4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID	A	1XAP	0.77
OX1		H,Y	1LO2	0.71
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B,I,J	2FIV	0.8
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B	1B0H	0.8
ALN	NAPHTHALEN-2-YL-3-ALANINE	B	1FIV	0.8
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B,I,J	3FIV	0.8
PG9	D-PHENYLGLYCINE	A,B,G,H	10GS	0.71
PG9	D-PHENYLGLYCINE	A,B,C,D	2B4K	0.71
4PH	4-methyl-L-phenylalanine	B,C	3BV9	0.71
HOP	(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)- 5-PHENYL-1-CYCLOHEXANOL	H,L	1D6V	0.71
HOP	(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)- 5-PHENYL-1-CYCLOHEXANOL	A,B,H,L	1AXS	0.71
APD	3-METHYLPHENYLALANINE	A,B,C	1GMY	0.72
LLG	2-aminoethyl naphthalen-1-ylacetate	A	3BC4	0.78
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.71
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2FR9	0.7
PBF	PARA-(BENZOYL)-PHENYLALANINE	A,B	1EEN	0.7
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2HGZ	0.7
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2FRB	0.7
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.75
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.75
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.7
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
BR4	6-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)- HEXANOIC ACID	A	1KQU	0.77
HMF	2-AMINO-4-PHENYL-BUTYRIC ACID	I,J	1AY6	0.71
LOB	LOBELINE	A,B,C,D,E,F, G,H,I,J	2BYS	0.7
ZAE	N-methyl-D-phenylalanine	H,I,R	1TBZ	0.71
HPE	HOMOPHENYLALANINE	A,B	1B1H	0.71
BEY	(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]- 2-benzylpropanoic acid	A	3EBI	0.72
PAC	2-PHENYLACETIC ACID	B	1PNL	0.72
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.72
PAC	2-PHENYLACETIC ACID	B	1FXH	0.72
PAC	2-PHENYLACETIC ACID	A	2ISF	0.72
PAC	2-PHENYLACETIC ACID	A	2INE	0.72