MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02325878

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
ANF	ANTHRONE	H	2BJM	0.7
NOA	NAPHTHYLOXYACETIC ACID	A,B,I	1HIV	0.76
NOA	NAPHTHYLOXYACETIC ACID	I	1IVP	0.76
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
FLP	FLURBIPROFEN	A,B,C,D	3PGH	0.7
FLP	FLURBIPROFEN	A,B	1CQE	0.7
FLP	FLURBIPROFEN	A,B	1EQH	0.7
FLP	FLURBIPROFEN	A,B	2AYL	0.7
FLP	FLURBIPROFEN	A	1DVT	0.7
FLP	FLURBIPROFEN	A	1R9O	0.7
2PM	N-[2-(BENZHYDRYLOXY)ETHYL]-N,N- DIMETHYLAMINE	A,B	2AOT	0.74
SS1	1-PHENYLETHANOL	H	1UM5	0.7
184	6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FCX	0.72
LLG	2-aminoethyl naphthalen-1-ylacetate	A	3BC4	0.76
BPA	7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE	A	1JDG	0.7
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	0.75
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	0.75
1NH	(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]- 3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE	B	1O1S	0.7
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	0.7
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	0.7
2DM	2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATE	A,B	1S88	0.73
FL2	FLURBIPROFEN METHYL ESTER	A,B	1HT5	0.74
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXV	0.7
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,E	2IBK	0.7
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,C,D,E,F	2IA6	0.7
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1Y9H	0.7
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1FYY	0.7
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXO	0.7
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1DXA	0.7
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXL	0.7
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,D,E,F	1S0M	0.7
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1BPS	0.7
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,C	1XC9	0.7
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.7
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.7
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.7
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.7
G24	[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5- DIMETHYLPHENOXY]ACETIC ACID	A	1Q4X	0.7
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K5S	0.7
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1KEC	0.7
GRO	R-2-PHENYL-PROPRIONIC ACID	B	1K7D	0.7
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.72
NPS	(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid	A	2VDB	0.76
TTB	4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID	A	1XAP	0.72
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.81
ZZ1	4-METHYL-2H-CHROMEN-2-ONE	A	2CIP	0.72
DBA	(2,6-DIMETHYL-PHENOXY)-ACETIC ACID	A,B	1IDB	0.72
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.71
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,I	2F4O	0.81
PHQ	FORMIC ACID BENZYL ESTER	A	1KJO	0.81
PHQ	FORMIC ACID BENZYL ESTER	I	2CDR	0.81
PHQ	FORMIC ACID BENZYL ESTER	I	2C1E	0.81
PHQ	FORMIC ACID BENZYL ESTER	I	5PAD	0.81
PHQ	FORMIC ACID BENZYL ESTER	E,F	1JXQ	0.81
PHQ	FORMIC ACID BENZYL ESTER	A	2CNO	0.81
PHQ	FORMIC ACID BENZYL ESTER	A,B	1CGL	0.81
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ9	0.81
PHQ	FORMIC ACID BENZYL ESTER	I	2C2K	0.81
PHQ	FORMIC ACID BENZYL ESTER	A,I	2CNL	0.81
PHQ	FORMIC ACID BENZYL ESTER	A	1KJP	0.81
PHQ	FORMIC ACID BENZYL ESTER	I	2C2M	0.81
PHQ	FORMIC ACID BENZYL ESTER	I	2AZB	0.81
PHQ	FORMIC ACID BENZYL ESTER	A	9HVP	0.81
PHQ	FORMIC ACID BENZYL ESTER	A	1ESB	0.81
PHQ	FORMIC ACID BENZYL ESTER	E,F	1DY8	0.81
PHQ	FORMIC ACID BENZYL ESTER	E,I	1PPM	0.81
PHQ	FORMIC ACID BENZYL ESTER	I	1GEC	0.81
PHQ	FORMIC ACID BENZYL ESTER	A	1KS7	0.81
PHQ	FORMIC ACID BENZYL ESTER	C	1A8G	0.81
PHQ	FORMIC ACID BENZYL ESTER	A	1KKK	0.81
PHQ	FORMIC ACID BENZYL ESTER	T,U,V,W,X,Y	1QDU	0.81
PHQ	FORMIC ACID BENZYL ESTER	E,I	4TMN	0.81
PHQ	FORMIC ACID BENZYL ESTER	E,I	5TMN	0.81
PHQ	FORMIC ACID BENZYL ESTER	A	1KTO	0.81
PHQ	FORMIC ACID BENZYL ESTER	A,C	1TG1	0.81
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ8	0.81
PHQ	FORMIC ACID BENZYL ESTER	A,B	2G58	0.81
PHQ	FORMIC ACID BENZYL ESTER	Q,R,S,T,U,V	1F9E	0.81
PHQ	FORMIC ACID BENZYL ESTER	I	2CJY	0.81
PHQ	FORMIC ACID BENZYL ESTER	A,I	1E8M	0.81
PHQ	FORMIC ACID BENZYL ESTER	A	1KR6	0.81
PHQ	FORMIC ACID BENZYL ESTER	E,I	6TMN	0.81
PHQ	FORMIC ACID BENZYL ESTER	A	1KRO	0.81
PHQ	FORMIC ACID BENZYL ESTER	I	2CNN	0.81
PHQ	FORMIC ACID BENZYL ESTER	I	2C2O	0.81
PHQ	FORMIC ACID BENZYL ESTER	A,B	1SQZ	0.81
PHQ	FORMIC ACID BENZYL ESTER	A,B	1THE	0.81
PHQ	FORMIC ACID BENZYL ESTER	I,J	2AZC	0.81
PHQ	FORMIC ACID BENZYL ESTER	E,I	5EST	0.81
PHQ	FORMIC ACID BENZYL ESTER	I	2CNK	0.81
PHQ	FORMIC ACID BENZYL ESTER	A	1KL6	0.81
PHQ	FORMIC ACID BENZYL ESTER	I	6PAD	0.81
PHQ	FORMIC ACID BENZYL ESTER	B,I	2C2Z	0.81
OBZ	O-benzylhydroxylamine	A,B	3DTH	0.7
OBZ	O-benzylhydroxylamine	A,B	3DTG	0.7
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.74
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.7
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.7
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.7
564	6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID	A	1FCY	0.71
PYP	2'-DEOXYRIBOFURANOSYLPYRENE-5'- MONOPHOSPHATE	A,B	1FZS	0.7
PYP	2'-DEOXYRIBOFURANOSYLPYRENE-5'- MONOPHOSPHATE	A,B	1FZL	0.7
156	4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID	A	1FCZ	0.71
TBT	8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE- 8,9,10-TRIOL	A	1DJD	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	0.75
I59	HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID	A	1O4G	0.77
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.78
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.78
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1DL4	0.71
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1I7V	0.71
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1QBY	0.71
BFL		A,B	1Q4G	0.73
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	2ROU	0.71
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	1HX4	0.71
DFA	DIPHENYLACETIC ACID	A,B,C	1GMY	0.72
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A,P,T	2I9G	0.71
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	1HWV	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	0.7
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.79
BZR	1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1MXJ	0.71
DIC	3,4-DICHLOROISOCOUMARIN	A	1DIC	0.71
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.79
4TN	(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)-4-HYDROXYPHENYL]ACRYLIC ACID	A	2P1U	0.71
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.76
1NP	1-NAPHTHOL	X	2ZVQ	0.7
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.74
OX1		H,Y	1LO2	0.7