MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02435803

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
S1A	SORAPHEN A	A,B	3GID	0.73
S1A	SORAPHEN A	A,B,C	1W96	0.73
HE7	4-{[(14beta,17alpha)-3-hydroxyestra- 1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid	A,B,C,D	2Z77	0.72
1NH	(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]- 3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE	B	1O1S	0.72
IBP	IBUPROFEN	A	3FKX	0.73
IBP	IBUPROFEN	A,B	2BXG	0.73
IBP	IBUPROFEN	A,B	1EQG	0.73
IBP	IBUPROFEN	A,B,C	2WD9	0.73
IBP	IBUPROFEN	A	2PWS	0.73
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.7
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
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.78
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.76
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.76
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPM	0.71
OPH	2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER	E,I	1PPL	0.71
564	6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID	A	1FCY	0.72
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.73
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.72
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.72
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.72
PYP	2'-DEOXYRIBOFURANOSYLPYRENE-5'- MONOPHOSPHATE	A,B	1FZS	0.71
PYP	2'-DEOXYRIBOFURANOSYLPYRENE-5'- MONOPHOSPHATE	A,B	1FZL	0.71
HZ3	dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)- 7-oxabicyclo[2.2.1]hepta-2,5-diene- 2,3-dicarboxylate	A,B	2QR9	0.71
ENM	(5S,8R,9S,10S,13R,14S,17S)-13-{2- [(3,5-DIFLUOROBENZYL)OXY]ETHYL}- 17-HYDROXY-10-METHYLHEXADECAHYDRO- 3H-CYCLOPENTA[A]PHENANTHREN-3-ONE	A	2PNU	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	0.75
SMN	(S)-MANDELIC ACID	A	1MDL	0.74
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.72
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.74
GRR	(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid	A	3CDS	0.71
DIC	3,4-DICHLOROISOCOUMARIN	A	1DIC	0.72
NPS	(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid	A	2VDB	0.76
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.72
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.72
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.72
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.72
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
UIN	5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE	B	5UPJ	0.72
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
RMN	(R)-MANDELIC ACID	A	1MDL	0.74
RMN	(R)-MANDELIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MCZ	0.74
BM6	4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID	A	1MVC	0.82
BM6	4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID	A,C,E,G	1MZN	0.82
2DM	2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATE	A,B	1S88	0.71
ODE	DIETHYL (1R,2S,3R,4S)-5,6-BIS(4- HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT- 5-ENE-2,3-DICARBOXYLATE	A,B	2QH6	0.74
NIU	6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE	A	6UPJ	0.72
MAX	MATAIRESINOL	A	2BGM	0.72
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.71
FLP	FLURBIPROFEN	A,B	1CQE	0.71
FLP	FLURBIPROFEN	A,B	1EQH	0.71
FLP	FLURBIPROFEN	A,B	2AYL	0.71
FLP	FLURBIPROFEN	A	1DVT	0.71
FLP	FLURBIPROFEN	A	1R9O	0.71
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.73
FBC		A,B	2B9A	0.72
OX1		H,Y	1LO2	0.75
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	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A,B	1C1X	0.71
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	0.71
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	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1QRP	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	A	2CTC	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E82	0.71
HFA	ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID	I	1E81	0.71
PAC	2-PHENYLACETIC ACID	B	1PNL	0.7
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.7
PAC	2-PHENYLACETIC ACID	B	1FXH	0.7
PAC	2-PHENYLACETIC ACID	A	2ISF	0.7
PAC	2-PHENYLACETIC ACID	A	2INE	0.7
BFL		A,B	1Q4G	0.73
PIC	6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE- 2-CARBOXYLIC ACID	A	1BZJ	0.7
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.73
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.73
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.73
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.7
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.79
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.71
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.71
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.71
4FC		A	1YSG	0.73
LRG	(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid	A	3B3K	0.72
LRG	(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid	A	3D6D	0.72
26C		A,B	2F7I	0.72
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	0.78
CIN	4-CARBOXYCINNAMIC ACID	A,B,C,D	1HAB	0.7
CIN	4-CARBOXYCINNAMIC ACID	A,B	1T6J	0.7
LLG	2-aminoethyl naphthalen-1-ylacetate	A	3BC4	0.75
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.77
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.77
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.74