MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02874757

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
CPM	S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE	A	1CPS	0.72
APA	AMIDO PHENYL PYRUVIC ACID	H,I	1AHT	0.7
APA	AMIDO PHENYL PYRUVIC ACID	A,B,C,D	1A0L	0.7
APA	AMIDO PHENYL PYRUVIC ACID	A	1TPP	0.7
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
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.7
PAC	2-PHENYLACETIC ACID	B	1PNL	0.8
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.8
PAC	2-PHENYLACETIC ACID	B	1FXH	0.8
PAC	2-PHENYLACETIC ACID	A	2ISF	0.8
PAC	2-PHENYLACETIC ACID	A	2INE	0.8
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.81
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.8
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.8
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.8
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.86
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.86
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.86
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.86
4HP	4-HYDROXYPHENYLACETATE	A,B,C,D	2JBT	0.7
4HP	4-HYDROXYPHENYLACETATE	A	2YYJ	0.7
4HP	4-HYDROXYPHENYLACETATE	A	2YYM	0.7
4HP	4-HYDROXYPHENYLACETATE	B	1AI6	0.7
4HP	4-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCG	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
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.82
M28	3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID	A,B	2NN1	0.7
M28	3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID	A	2NNO	0.7
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.77
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.74
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	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	0.74
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPM	0.8
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPL	0.8
RP4	(1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3- (PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE- 1-CARBOXYLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	2CJF	0.71
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.78
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.78
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.78
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.78
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.71
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A	1NX3	0.73
ISA	3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID	A,B	1ALW	0.73
RMN	(R)-MANDELIC ACID	A	1MDL	0.79
RMN	(R)-MANDELIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MCZ	0.79
FOG	(4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid	I	1EED	0.7
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.78
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	H,I	1A2C	0.74
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	A,B,C	1CA7	0.74
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	A,B,C,D	3GGO	0.74
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.71
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.71
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B,I,J	2FIV	0.72
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B	1B0H	0.72
ALN	NAPHTHALEN-2-YL-3-ALANINE	B	1FIV	0.72
ALN	NAPHTHALEN-2-YL-3-ALANINE	A,B,I,J	3FIV	0.72
C1E	(2Z,4E)-3-chloro-2-hydroxy-6-oxo- 6-phenylhexa-2,4-dienoic acid	A	2RHT	0.71
BFL		A,B	1Q4G	0.82
184	6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FCX	0.74
HMF	2-AMINO-4-PHENYL-BUTYRIC ACID	I,J	1AY6	0.7
564	6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID	A	1FCY	0.73
OX1		H,Y	1LO2	0.76
HPE	HOMOPHENYLALANINE	A,B	1B1H	0.7
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.7
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.86
791	2-PHENYLMALONIC ACID	A	1O4P	0.79
HPX	(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A,B,C,D	2DSA	0.73
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.74
IBP	IBUPROFEN	A	3FKX	0.8
IBP	IBUPROFEN	A,B	2BXG	0.8
IBP	IBUPROFEN	A,B	1EQG	0.8
IBP	IBUPROFEN	A,B,C	2WD9	0.8
IBP	IBUPROFEN	A	2PWS	0.8
PHT	PHTHALIC ACID	A,B,C	2B7P	0.72
PHT	PHTHALIC ACID	A	3C2V	0.72
PHT	PHTHALIC ACID	A,B,C,D,E,F	1QPR	0.72
PHT	PHTHALIC ACID	A,B	3C2R	0.72
LLG	2-aminoethyl naphthalen-1-ylacetate	A	3BC4	0.72
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.84
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.8
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.8
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.8
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.82
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.82
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.82
HPZ	(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A	2PUJ	0.73
SMN	(S)-MANDELIC ACID	A	1MDL	0.79
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.81
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.81
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.8
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.8
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.8
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.8
HCI	HYDROCINNAMIC ACID	A	1TOI	0.8
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.8
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.8
C0E	3-fluoro-6-(4-fluorophenyl)-2-hydroxy- 6-oxohexa-2,4-dienoic acid	A	2RHW	0.7
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.71
156	4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID	A	1FCZ	0.76
26C		A,B	2F7I	0.74
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.79
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.77
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.77
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.77
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	0,1,3,4,5,9, A,B,C,H,J,K, L,M,N,O,Q,R, S,T,U,Y,Z	1VQ6	0.82
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.82
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	0,1,3,4,9,A, B,C,D,F,H,J, K,L,M,N,O,Q, R,S,T,U,Y,Z	1VQP	0.82
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	0,1,2,3,4,5, 9,A,B,C,D,F, H,J,K,L,M,N, O,Q,R,S,T,U, Y,Z	1VQN	0.82
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.82
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.82
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.82
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	0.82
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.8
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.8
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.8
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.8
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.8
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.8
CIN	4-CARBOXYCINNAMIC ACID	A,B,C,D	1HAB	0.72
CIN	4-CARBOXYCINNAMIC ACID	A,B	1T6J	0.72
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,M,N	1FJM	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVA	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1LCM	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,C,D,E,F, G,H	2NYM	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,I	2IE3	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,F,X,Y	2NPP	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVC	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	C,F,G,H	3DW8	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A,B,C,D,E,F, G,H	2NYL	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVD	0.7
ADD	2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID	A	1EVB	0.7
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2ITK	0.7
NAL	BETA-(2-NAPHTHYL)-ALANINE	H,I	4THN	0.7
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2Q5A	0.7
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1ZWU	0.7
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1SKL	0.7
NAL	BETA-(2-NAPHTHYL)-ALANINE	H,I	5GDS	0.7
NAL	BETA-(2-NAPHTHYL)-ALANINE	A	1ZH0	0.7
NAL	BETA-(2-NAPHTHYL)-ALANINE	A,B	2JT9	0.7
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.75
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.75
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.74
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.8
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.76
256	PHENYL(SULFO)ACETIC ACID	A	1O4Q	0.72
CP5	(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}- 2-PHENYLACRYLATE	A	1SCW	0.71
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.79
HSI	(3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID	A	2Z2D	0.73
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.82
FBC		A,B	2B9A	0.74
TBC	(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE	A	1N8C	0.7
HHH	(2S)-hydroxy(4-hydroxyphenyl)ethanoic acid	A,B	2R5V	0.73
4CB	4-CARBOXYPHENYLBORONIC ACID	A,B	1KDW	0.7
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.8
FLP	FLURBIPROFEN	A,B	1CQE	0.8
FLP	FLURBIPROFEN	A,B	1EQH	0.8
FLP	FLURBIPROFEN	A,B	2AYL	0.8
FLP	FLURBIPROFEN	A	1DVT	0.8
FLP	FLURBIPROFEN	A	1R9O	0.8
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2FR9	0.72
PBF	PARA-(BENZOYL)-PHENYLALANINE	A,B	1EEN	0.72
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2HGZ	0.72
PBF	PARA-(BENZOYL)-PHENYLALANINE	A	2FRB	0.72
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.7
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.7
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.7
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.7
PEL	2-PHENYL-ETHANOL	A	1EYW	0.7
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.7
TRZ	TRAZEOLIDE	A	1C12	0.75
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.74
4FC		A	1YSG	0.75
295	(2S,3S)-3-(4-fluorophenyl)-2,3- dihydroxypropanoic acid	A,B	2RJR	0.75
BEY	(2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]- 2-benzylpropanoic acid	A	3EBI	0.72