MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02860341

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
BJP	(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID	A	1ERO	0.74
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
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY5	0.72
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY8	0.72
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY9	0.72
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XXZ	0.72
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY4	0.72
IAM	4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE	A	1XY6	0.72
254	6-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FD0	0.7
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.7
564	6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID	A	1FCY	0.72
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
SRB	L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID	B,C	3VGC	0.7
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.72
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.72
SBD	D-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINE	A	3VSB	0.71
TTB	4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID	A	1XAP	0.74
HOP	(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)- 5-PHENYL-1-CYCLOHEXANOL	H,L	1D6V	0.73
HOP	(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)- 5-PHENYL-1-CYCLOHEXANOL	A,B,H,L	1AXS	0.73
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
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.8
FRF	PHE-REDUCED-PHE	A,I	1GVX	0.74
BJI	1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID	A	1ERM	0.71
NHL	(4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID	A	2OHV	0.81
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.73
156	4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID	A	1FCZ	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
SRD	D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID	B,C	4VGC	0.7
SBL	L-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINE	A	1AV7	0.71
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
184	6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FCX	0.71
4PH	4-methyl-L-phenylalanine	B,C	3BV9	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
BEY	(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]- 2-benzylpropanoic acid	A	3EBI	0.73
IGL	ALPHA-AMINO-2-INDANACETIC ACID	A	1BDK	0.72
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,M,N	1FJM	0.73
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVA	0.73
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1LCM	0.73
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,C,D,E,F, G,H	2NYM	0.73
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,I	2IE3	0.73
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,F,X,Y	2NPP	0.73
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVC	0.73
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,F,G,H	3DW8	0.73
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,C,D,E,F, G,H	2NYL	0.73
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVD	0.73
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVB	0.73
BFL		A,B	1Q4G	0.78
791	2-PHENYLMALONIC ACID	A	1O4P	0.71
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.76
FLP	FLURBIPROFEN	A,B	1CQE	0.76
FLP	FLURBIPROFEN	A,B	1EQH	0.76
FLP	FLURBIPROFEN	A,B	2AYL	0.76
FLP	FLURBIPROFEN	A	1DVT	0.76
FLP	FLURBIPROFEN	A	1R9O	0.76
APD	3-METHYLPHENYLALANINE	A,B,C	1GMY	0.72
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.79
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.79
HPI	N-(1-CARBOXY-3-PHENYLPROPYL)PHENYLALANYL- ALPHA-ASPARAGINE	A	1U4G	0.71
LLG	2-aminoethyl naphthalen-1-ylacetate	A	3BC4	0.78
OIN	(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT- 3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE	A	1TH6	0.76
OIN	(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT- 3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE	A	2ARM	0.76
23N	(2R)-2-benzyl-3-nitropropanoic acid	A	2RFH	0.71
LOB	LOBELINE	A,B,C,D,E,F, G,H,I,J	2BYS	0.72
BR4	6-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)- HEXANOIC ACID	A	1KQU	0.78
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
IBP	IBUPROFEN	A	3FKX	0.76
IBP	IBUPROFEN	A,B	2BXG	0.76
IBP	IBUPROFEN	A,B	1EQG	0.76
IBP	IBUPROFEN	A,B,C	2WD9	0.76
IBP	IBUPROFEN	A	2PWS	0.76
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	0.73
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	0.73
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
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.76
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.76
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	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	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
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.78
HMF	2-AMINO-4-PHENYL-BUTYRIC ACID	I,J	1AY6	0.71
059	(2S)-2-[3-(AMINOMETHYL)PHENYL]- 3-{(S)-HYDROXY[(1R)-2-METHYL-1- {[(2-PHENYLETHYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID	A	2PJ6	0.7
ZAE	N-methyl-D-phenylalanine	H,I,R	1TBZ	0.71
HPE	HOMOPHENYLALANINE	A,B	1B1H	0.71
MN7	1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE	N	1NLO	0.71
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