MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00080010

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
FL8	6,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONE	B,C	1KGJ	0.76
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.74
VII	2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID	A,B	2GFK	0.73
OEF	3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACID	A	2J4A	0.8
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.72
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.72
G12	3,8-DIBROMO-7-HYDROXY-4-METHYL- 2H-CHROMEN-2-ONE	A	2QC6	0.72
R17	ALLYL-{4-[3-(4-BROMO-PHENYL)-BENZOFURAN- 6-YLOXY]-BUT-2-ENYL}-METHYL-AMINE	A,B,C	1O6Q	0.71
RWF	R-WARFARIN	A,B	2BXD	0.73
FL9		A,B	1THC	0.7
8CM	8-HYDROXYCOUMARIN	A	2H8Z	0.71
PH7	(2Z)-2-(BENZOYLAMINO)-3-[4-(2-BROMOPHENOXY)PHENYL]- 2-PROPENOIC ACID	A	1YVF	0.71
ZZ1	4-METHYL-2H-CHROMEN-2-ONE	A	2CIP	0.76
U03	4-HYDROXY-7-METHOXY-3-(1-PHENYL- PROPYL)-CHROMEN-2-ONE	A	3UPJ	0.72
397	2-(4-HYDROXY-PHENYL)BENZOFURAN- 5-OL	A,B	1U9E	0.71
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.71
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
R02	{4-[((1S,2S)-2-{[ALLYL(CYCLOPROPYL)AMINO]METHYL}CYCLOPROPYL)METHOXY]PHENYL}(4- BROMOPHENYL)METHANONE	A,B,C	1H37	0.74
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3GCL	0.79
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2QQT	0.79
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1TGM	0.79
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2G5J	0.79
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1OXR	0.79
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3HWY	0.79
LRG	(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid	A	3B3K	0.71
LRG	(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid	A	3D6D	0.71
R71	[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)- 2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE	A	1W6J	0.78
R71	[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)- 2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE	A,B,C	1GSZ	0.78
694	4-BROMO-3-(CARBOXYMETHOXY)-5-(4- HYDROXYPHENYL)THIOPHENE-2-CARBOXYLIC ACID	A	2H4G	0.7
MPP	3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID	A,B	2AY3	0.72
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A	2Z9C	0.75
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A,B	1OOQ	0.75
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A,B,C,D,E,F, G,H	2F1O	0.75
BHF	2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE	A	2HI4	0.74
667	6-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTA[C][1]BENZOPYRAN- 3-O-SULFAMATE	A	1TTM	0.7
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.81
COU	COUMARIN	A	3CRB	0.76
COU	COUMARIN	A	2PMJ	0.76
COU	COUMARIN	A	2H90	0.76
COU	COUMARIN	A,B,C,D	1Z10	0.76
COU	COUMARIN	A	2PWB	0.76
FLN	2-PHENYL-4H-CHROMEN-4-ONE	A	2G0L	0.78
GRR	(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid	A	3CDS	0.73
TOM	4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID	A	2IMF	0.71
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.72
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.7
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.71
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.71
FDS	FLUORESCIN	H	4FAB	0.72
VXX	VANILLATE	A,B	1WB6	0.71
NPS	(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid	A	2VDB	0.75
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	L	1FLR	0.73
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	A,B	1N0S	0.73
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	C,L	1T66	0.73
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	A	1X9Q	0.73
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	A,D	2NMV	0.73
DBF	DIBENZOFURAN-4,6-DICARBOXYLIC ACID	B	1DVU	0.73
BZF	BENZOFURAN	A	182L	0.72
4HC	4-HYDROXY-2H-CHROMEN-2-ONE	A,B	1V5Y	0.72
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PIT	0.74
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ1	0.74
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PIU	0.74
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PKL	0.74
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A,B	3D57	0.74
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ2	0.74
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2QPY	0.74
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ0	0.74
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NUO	0.74
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A,B	2PIN	0.74
DBA	(2,6-DIMETHYL-PHENOXY)-ACETIC ACID	A,B	1IDB	0.7
VNL	4-HYDROXY-3-METHOXYBENZOATE	A,B,C,D	2AHC	0.71
VNL	4-HYDROXY-3-METHOXYBENZOATE	A	1XLR	0.71
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
789	3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE	A,B	1ZAF	0.73
SWF	S-WARFARIN	A,B	1OG5	0.73
B21	5-(2-METHOXYPHENYL)-2-FUROIC ACID	A	2Q93	0.71
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.76
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.76
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.76
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.76
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.76
T4A		C,D	1KGI	0.73
T4A		A,B	1Z7J	0.73
WRR	4-HYDROXY-3-[(1S,3R)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE	A	1H9Z	0.71
509	4-BROMO-3-(CARBOXYMETHOXY)-5-PHENYLTHIOPHENE- 2-CARBOXYLIC ACID	A	2H4K	0.71
R88	(4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT- 2-ENYL}OXY)PHENYL]METHANONE	A,B,C	1H36	0.78
U01	3-[1-(4-BROMO-PHENYL)-2-METHYL- PROPYL]-4-HYDROXY-CHROMEN-2-ONE	A	1UPJ	0.83
SB8	2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE	A	2AIA	0.72
WRS	4-HYDROXY-3-[(1S,3S)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE	A	1HA2	0.71