MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02676320

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
BFL		A,B	1Q4G	0.81
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	0.75
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.75
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	0.75
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	0.75
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.75
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.75
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.75
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	0.75
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.71
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPM	0.76
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPL	0.76
DES	DIETHYLSTILBESTROL	A,B,C,D	1S9P	0.7
DES	DIETHYLSTILBESTROL	A,B	3ERD	0.7
DES	DIETHYLSTILBESTROL	A,B	1TT6	0.7
DES	DIETHYLSTILBESTROL	A,B,C,D	1TZ8	0.7
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.73
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.73
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.73
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.73
HCI	HYDROCINNAMIC ACID	A	1TOI	0.73
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.73
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.73
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.73
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.8
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.78
FLP	FLURBIPROFEN	A,B	1CQE	0.78
FLP	FLURBIPROFEN	A,B	1EQH	0.78
FLP	FLURBIPROFEN	A,B	2AYL	0.78
FLP	FLURBIPROFEN	A	1DVT	0.78
FLP	FLURBIPROFEN	A	1R9O	0.78
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.73
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.72
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.72
2PM	N-[2-(BENZHYDRYLOXY)ETHYL]-N,N- DIMETHYLAMINE	A,B	2AOT	0.74
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.74
MFD	(2S,3S,8S,9S)-3-AMINO-9-METHOXY- 2,6,8-TRIMETHYL-10-PHENYLDECA-4,6- DIENOIC ACID	A	1AY3	0.76
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.84
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.72
BZS	L-BENZYLSUCCINIC ACID	A	1CBX	0.71
BZS	L-BENZYLSUCCINIC ACID	A	1HYT	0.71
BZS	L-BENZYLSUCCINIC ACID	A,B	1WHT	0.71
ARL	7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID	A	1NQ7	0.71
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.72
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.72
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.72
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.72
IBP	IBUPROFEN	A	3FKX	0.78
IBP	IBUPROFEN	A,B	2BXG	0.78
IBP	IBUPROFEN	A,B	1EQG	0.78
IBP	IBUPROFEN	A,B,C	2WD9	0.78
IBP	IBUPROFEN	A	2PWS	0.78
BTP	2-THIOMETHYL-3-PHENYLPROPANOIC ACID	A,B	1JAO	0.7
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.7
B28		A,B	2E9A	0.7
BIP	2-BENZYL-3-IODOPROPANOIC ACID	A,B,C,D	1BAV	0.72
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.78
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.78
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.78
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.75
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.71
SS1	1-PHENYLETHANOL	H	1UM5	0.73
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.74
2HS	HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS2	0.74
PHQ	FORMIC ACID BENZYL ESTER	A,I	2F4O	0.74
PHQ	FORMIC ACID BENZYL ESTER	A	1KJO	0.74
PHQ	FORMIC ACID BENZYL ESTER	I	2CDR	0.74
PHQ	FORMIC ACID BENZYL ESTER	I	2C1E	0.74
PHQ	FORMIC ACID BENZYL ESTER	I	5PAD	0.74
PHQ	FORMIC ACID BENZYL ESTER	E,F	1JXQ	0.74
PHQ	FORMIC ACID BENZYL ESTER	A	2CNO	0.74
PHQ	FORMIC ACID BENZYL ESTER	A,B	1CGL	0.74
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ9	0.74
PHQ	FORMIC ACID BENZYL ESTER	I	2C2K	0.74
PHQ	FORMIC ACID BENZYL ESTER	A,I	2CNL	0.74
PHQ	FORMIC ACID BENZYL ESTER	A	1KJP	0.74
PHQ	FORMIC ACID BENZYL ESTER	I	2C2M	0.74
PHQ	FORMIC ACID BENZYL ESTER	I	2AZB	0.74
PHQ	FORMIC ACID BENZYL ESTER	A	9HVP	0.74
PHQ	FORMIC ACID BENZYL ESTER	A	1ESB	0.74
PHQ	FORMIC ACID BENZYL ESTER	E,F	1DY8	0.74
PHQ	FORMIC ACID BENZYL ESTER	E,I	1PPM	0.74
PHQ	FORMIC ACID BENZYL ESTER	I	1GEC	0.74
PHQ	FORMIC ACID BENZYL ESTER	A	1KS7	0.74
PHQ	FORMIC ACID BENZYL ESTER	C	1A8G	0.74
PHQ	FORMIC ACID BENZYL ESTER	A	1KKK	0.74
PHQ	FORMIC ACID BENZYL ESTER	T,U,V,W,X,Y	1QDU	0.74
PHQ	FORMIC ACID BENZYL ESTER	E,I	4TMN	0.74
PHQ	FORMIC ACID BENZYL ESTER	E,I	5TMN	0.74
PHQ	FORMIC ACID BENZYL ESTER	A	1KTO	0.74
PHQ	FORMIC ACID BENZYL ESTER	A,C	1TG1	0.74
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ8	0.74
PHQ	FORMIC ACID BENZYL ESTER	A,B	2G58	0.74
PHQ	FORMIC ACID BENZYL ESTER	Q,R,S,T,U,V	1F9E	0.74
PHQ	FORMIC ACID BENZYL ESTER	I	2CJY	0.74
PHQ	FORMIC ACID BENZYL ESTER	A,I	1E8M	0.74
PHQ	FORMIC ACID BENZYL ESTER	A	1KR6	0.74
PHQ	FORMIC ACID BENZYL ESTER	E,I	6TMN	0.74
PHQ	FORMIC ACID BENZYL ESTER	A	1KRO	0.74
PHQ	FORMIC ACID BENZYL ESTER	I	2CNN	0.74
PHQ	FORMIC ACID BENZYL ESTER	I	2C2O	0.74
PHQ	FORMIC ACID BENZYL ESTER	A,B	1SQZ	0.74
PHQ	FORMIC ACID BENZYL ESTER	A,B	1THE	0.74
PHQ	FORMIC ACID BENZYL ESTER	I,J	2AZC	0.74
PHQ	FORMIC ACID BENZYL ESTER	E,I	5EST	0.74
PHQ	FORMIC ACID BENZYL ESTER	I	2CNK	0.74
PHQ	FORMIC ACID BENZYL ESTER	A	1KL6	0.74
PHQ	FORMIC ACID BENZYL ESTER	I	6PAD	0.74
PHQ	FORMIC ACID BENZYL ESTER	B,I	2C2Z	0.74
L79	(S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO- 1-BENZOFURAN-2-YL]-2-PROPENOIC ACID	A,D	1RDT	0.76
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.74
791	2-PHENYLMALONIC ACID	A	1O4P	0.73
RMN	(R)-MANDELIC ACID	A	1MDL	0.71
RMN	(R)-MANDELIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MCZ	0.71
2HR	HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS1	0.74
1ZN	(2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy- 2,6,8-trimethyl-10-phenyldeca-4,6- dienoic acid	C,F,M,N	2IAE	0.76
LLG	2-aminoethyl naphthalen-1-ylacetate	A	3BC4	0.72
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.74
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.74
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.74
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.74
PEL	2-PHENYL-ETHANOL	A	1EYW	0.74
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.74
M5P	(S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID	A,B	2YZ3	0.71
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.76
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.76
GW5	(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID	A,B,C	1R5K	0.73
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
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.71
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.71
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.71
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.71
HXS	4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol	A,B	3CV6	0.72
B08		A,B	2E99	0.71
SMN	(S)-MANDELIC ACID	A	1MDL	0.71
R13	3-METHYL-7-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL) -OCTA-2,4,6-TRIENOIC ACID	A	2CBS	0.71
PAC	2-PHENYLACETIC ACID	B	1PNL	0.74
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.74
PAC	2-PHENYLACETIC ACID	B	1FXH	0.74
PAC	2-PHENYLACETIC ACID	A	2ISF	0.74
PAC	2-PHENYLACETIC ACID	A	2INE	0.74
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.74
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.74
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.8
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.71
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.71
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.71
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.71
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.73
TBC	(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE	A	1N8C	0.72
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.74
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.7
BDB		A,B	1KE3	0.71
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.73
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.73
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.73