MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02860302

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
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	0.76
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	0.76
HOP	(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)- 5-PHENYL-1-CYCLOHEXANOL	H,L	1D6V	0.72
HOP	(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)- 5-PHENYL-1-CYCLOHEXANOL	A,B,H,L	1AXS	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
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
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
IGL	ALPHA-AMINO-2-INDANACETIC ACID	A	1BDK	0.71
NHL	(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID	A	2OHV	0.8
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
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
OIN	(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT- 3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE	A	1TH6	0.74
OIN	(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT- 3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE	A	2ARM	0.74
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
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
MN7	1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE	N	1NLO	0.7
FRF	PHE-REDUCED-PHE	A,I	1GVX	0.73
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
MPQ	N-METHYL-ALPHA-PHENYL-GLYCINE	D	1D6E	0.71
SBD	D-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINE	A	3VSB	0.7
AOE	N-BUTYL-11-[(7R,8R,9S,13S,14S,17S)- 3,17-DIHYDROXY-13-METHYL-7,8,9,11,12,13,14,15,16,17- DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN- 7-YL]-N-METHYLUNDECANAMIDE	A	1HJ1	0.7
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	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,C,D	2AOB	0.72
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	0.72
BJI	1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID	A	1ERM	0.7
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.74
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.74
BR4	6-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)- HEXANOIC ACID	A	1KQU	0.77
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
SBL	L-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINE	A	1AV7	0.7
LOB	LOBELINE	A,B,C,D,E,F, G,H,I,J	2BYS	0.7
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