MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02849038

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
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	0.72
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.74
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.74
G24	[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5- DIMETHYLPHENOXY]ACETIC ACID	A	1Q4X	0.73
184	6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FCX	0.78
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.72
4TN	(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)-4-HYDROXYPHENYL]ACRYLIC ACID	A	2P1U	0.75
PYP	2'-DEOXYRIBOFURANOSYLPYRENE-5'- MONOPHOSPHATE	A,B	1FZS	0.76
PYP	2'-DEOXYRIBOFURANOSYLPYRENE-5'- MONOPHOSPHATE	A,B	1FZL	0.76
TBT	8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE- 8,9,10-TRIOL	A	1DJD	0.78
3TN	(2E)-3-[4-HYDROXY-3-(3-METHOXY- 5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-YL)PHENYL]ACRYLIC ACID	A	2P1T	0.74
HE7	4-{[(14beta,17alpha)-3-hydroxyestra- 1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid	A,B,C,D	2Z77	0.7
5TN	(2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL- 3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-YL)PHENYL]ACRYLIC ACID	A	2P1V	0.74
PHQ	FORMIC ACID BENZYL ESTER	A,I	2F4O	0.75
PHQ	FORMIC ACID BENZYL ESTER	A	1KJO	0.75
PHQ	FORMIC ACID BENZYL ESTER	I	2CDR	0.75
PHQ	FORMIC ACID BENZYL ESTER	I	2C1E	0.75
PHQ	FORMIC ACID BENZYL ESTER	I	5PAD	0.75
PHQ	FORMIC ACID BENZYL ESTER	E,F	1JXQ	0.75
PHQ	FORMIC ACID BENZYL ESTER	A	2CNO	0.75
PHQ	FORMIC ACID BENZYL ESTER	A,B	1CGL	0.75
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ9	0.75
PHQ	FORMIC ACID BENZYL ESTER	I	2C2K	0.75
PHQ	FORMIC ACID BENZYL ESTER	A,I	2CNL	0.75
PHQ	FORMIC ACID BENZYL ESTER	A	1KJP	0.75
PHQ	FORMIC ACID BENZYL ESTER	I	2C2M	0.75
PHQ	FORMIC ACID BENZYL ESTER	I	2AZB	0.75
PHQ	FORMIC ACID BENZYL ESTER	A	9HVP	0.75
PHQ	FORMIC ACID BENZYL ESTER	A	1ESB	0.75
PHQ	FORMIC ACID BENZYL ESTER	E,F	1DY8	0.75
PHQ	FORMIC ACID BENZYL ESTER	E,I	1PPM	0.75
PHQ	FORMIC ACID BENZYL ESTER	I	1GEC	0.75
PHQ	FORMIC ACID BENZYL ESTER	A	1KS7	0.75
PHQ	FORMIC ACID BENZYL ESTER	C	1A8G	0.75
PHQ	FORMIC ACID BENZYL ESTER	A	1KKK	0.75
PHQ	FORMIC ACID BENZYL ESTER	T,U,V,W,X,Y	1QDU	0.75
PHQ	FORMIC ACID BENZYL ESTER	E,I	4TMN	0.75
PHQ	FORMIC ACID BENZYL ESTER	E,I	5TMN	0.75
PHQ	FORMIC ACID BENZYL ESTER	A	1KTO	0.75
PHQ	FORMIC ACID BENZYL ESTER	A,C	1TG1	0.75
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ8	0.75
PHQ	FORMIC ACID BENZYL ESTER	A,B	2G58	0.75
PHQ	FORMIC ACID BENZYL ESTER	Q,R,S,T,U,V	1F9E	0.75
PHQ	FORMIC ACID BENZYL ESTER	I	2CJY	0.75
PHQ	FORMIC ACID BENZYL ESTER	A,I	1E8M	0.75
PHQ	FORMIC ACID BENZYL ESTER	A	1KR6	0.75
PHQ	FORMIC ACID BENZYL ESTER	E,I	6TMN	0.75
PHQ	FORMIC ACID BENZYL ESTER	A	1KRO	0.75
PHQ	FORMIC ACID BENZYL ESTER	I	2CNN	0.75
PHQ	FORMIC ACID BENZYL ESTER	I	2C2O	0.75
PHQ	FORMIC ACID BENZYL ESTER	A,B	1SQZ	0.75
PHQ	FORMIC ACID BENZYL ESTER	A,B	1THE	0.75
PHQ	FORMIC ACID BENZYL ESTER	I,J	2AZC	0.75
PHQ	FORMIC ACID BENZYL ESTER	E,I	5EST	0.75
PHQ	FORMIC ACID BENZYL ESTER	I	2CNK	0.75
PHQ	FORMIC ACID BENZYL ESTER	A	1KL6	0.75
PHQ	FORMIC ACID BENZYL ESTER	I	6PAD	0.75
PHQ	FORMIC ACID BENZYL ESTER	B,I	2C2Z	0.75
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1DL4	0.78
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1I7V	0.78
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1QBY	0.78
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	2ROU	0.78
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	1HX4	0.78
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A,P,T	2I9G	0.78
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	1HWV	0.78
ANF	ANTHRONE	H	2BJM	0.73
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.8
BZR	1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1MXJ	0.78
TBC	(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE	A	1N8C	0.76
2PM	N-[2-(BENZHYDRYLOXY)ETHYL]-N,N- DIMETHYLAMINE	A,B	2AOT	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
TTB	4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID	A	1XAP	0.77
OX1		H,Y	1LO2	0.74
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.76
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.76
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.75
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.75
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.76
17M	17-METHYL-17-ALPHA-DIHYDROEQUILENIN	A,B	2B1Z	0.7
254	6-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FD0	0.71
2E3	(2E)-3-[4-hydroxy-3-(3,5,5,8,8- pentamethyl-5,6,7,8-tetrahydronaphthalen- 2-yl)phenyl]prop-2-enoic acid	A	3FUG	0.75
564	6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID	A	1FCY	0.76
NPS	(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid	A	2VDB	0.75
369	5-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)- 7-methylnaphthalen-2-ol	A,B	3DT3	0.71
2DM	2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATE	A,B	1S88	0.79
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.79
BPA	7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE	A	1JDG	0.76
I59	HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID	A	1O4G	0.72
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	0.79
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	0.79
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXV	0.76
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,E	2IBK	0.76
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,C,D,E,F	2IA6	0.76
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1Y9H	0.76
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1FYY	0.76
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXO	0.76
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1DXA	0.76
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXL	0.76
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,D,E,F	1S0M	0.76
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1BPS	0.76
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,C	1XC9	0.76
LRG	(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid	A	3B3K	0.7
LRG	(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid	A	3D6D	0.7
973	(5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY- 5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)- ONE	A	2Q85	0.7
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.75
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.75
NOA	NAPHTHYLOXYACETIC ACID	A,B,I	1HIV	0.73
NOA	NAPHTHYLOXYACETIC ACID	I	1IVP	0.73
LLG	2-aminoethyl naphthalen-1-ylacetate	A	3BC4	0.73
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.71
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
GW5	(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID	A,B,C	1R5K	0.72