MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00082764

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
AGI	5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one	A,B,C,D,E,F	3CF9	0.71
VII	2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID	A,B	2GFK	0.73
AZ2	(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID	A,B	1I7I	0.7
AZ2	(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID	A	1I7G	0.7
RWF	R-WARFARIN	A,B	2BXD	0.73
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.71
VXX	VANILLATE	A,B	1WB6	0.7
BHF	2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE	A	2HI4	0.72
8CM	8-HYDROXYCOUMARIN	A	2H8Z	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3GCL	0.8
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2QQT	0.8
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1TGM	0.8
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2G5J	0.8
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1OXR	0.8
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3HWY	0.8
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.8
U03	4-HYDROXY-7-METHOXY-3-(1-PHENYL- PROPYL)-CHROMEN-2-ONE	A	3UPJ	0.72
LJ4	2,6-dibromo-4-phenoxyphenol	A,B	3CN3	0.71
SB8	2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE	A	2AIA	0.71
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.77
R88	(4-BROMOPHENYL)[4-({(2E)-4-[CYCLOPROPYL(METHYL)AMINO]BUT- 2-ENYL}OXY)PHENYL]METHANONE	A,B,C	1H36	0.79
FL9		A,B	1THC	0.73
667	6-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTA[C][1]BENZOPYRAN- 3-O-SULFAMATE	A	1TTM	0.72
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
509	4-BROMO-3-(CARBOXYMETHOXY)-5-PHENYLTHIOPHENE- 2-CARBOXYLIC ACID	A	2H4K	0.72
TOM	4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID	A	2IMF	0.73
COU	COUMARIN	A	3CRB	0.79
COU	COUMARIN	A	2PMJ	0.79
COU	COUMARIN	A	2H90	0.79
COU	COUMARIN	A,B,C,D	1Z10	0.79
COU	COUMARIN	A	2PWB	0.79
YRG	(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid	A	3CDP	0.71
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.77
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.77
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.77
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.77
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.77
R02	{4-[((1S,2S)-2-{[ALLYL(CYCLOPROPYL)AMINO]METHYL}CYCLOPROPYL)METHOXY]PHENYL}(4- BROMOPHENYL)METHANONE	A,B,C	1H37	0.75
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.73
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.73
G12	3,8-DIBROMO-7-HYDROXY-4-METHYL- 2H-CHROMEN-2-ONE	A	2QC6	0.73
DDC	7-HYDROXY-2-PHENYL-CHROMAN-4-ONE	A,B	1FM8	0.7
4MU	7-hydroxy-4-methyl-2H-chromen-2- one	A,B	3ETS	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
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
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A	2Z9C	0.76
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A,B	1OOQ	0.76
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A,B,C,D,E,F, G,H	2F1O	0.76
GRR	(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid	A	3CDS	0.74
789	3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE	A,B	1ZAF	0.72
ZZ1	4-METHYL-2H-CHROMEN-2-ONE	A	2CIP	0.78
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1CJ4	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1DOB	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1PXB	0.7
PHB	P-HYDROXYBENZOIC ACID	A,B	1G1B	0.7
PHB	P-HYDROXYBENZOIC ACID	A,B	1YKJ	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1IUV	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1PBE	0.7
PHB	P-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCC	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1PDH	0.7
PHB	P-HYDROXYBENZOIC ACID	B	2BUW	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1CC4	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1CC6	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1IUW	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1FW9	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1G81	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1BGJ	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1IUX	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1CJ3	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1D7L	0.7
PHB	P-HYDROXYBENZOIC ACID	A	2PHH	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1BGN	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1PXA	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1DOC	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1K0I	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1BKW	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1JD3	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1PXC	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1TT8	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1CJ2	0.7
PHB	P-HYDROXYBENZOIC ACID	A,B	1Q4S	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1BF3	0.7
PHB	P-HYDROXYBENZOIC ACID	B	2BUR	0.7
OEF	3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACID	A	2J4A	0.78
34C	(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID	A,B	1HT8	0.7
BZF	BENZOFURAN	A	182L	0.75
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.73
FL8	6,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONE	B,C	1KGJ	0.75
694	4-BROMO-3-(CARBOXYMETHOXY)-5-(4- HYDROXYPHENYL)THIOPHENE-2-CARBOXYLIC ACID	A	2H4G	0.71
DBF	DIBENZOFURAN-4,6-DICARBOXYLIC ACID	B	1DVU	0.72
NPS	(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid	A	2VDB	0.72
SWF	S-WARFARIN	A,B	1OG5	0.73
FLN	2-PHENYL-4H-CHROMEN-4-ONE	A	2G0L	0.81
MPP	3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID	A,B	2AY3	0.71
WRR	4-HYDROXY-3-[(1S,3R)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE	A	1H9Z	0.71
HXP	3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACID	A	1XAN	0.7
PH7	(2Z)-2-(BENZOYLAMINO)-3-[4-(2-BROMOPHENOXY)PHENYL]- 2-PROPENOIC ACID	A	1YVF	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
C17	7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H- CHROMENE-4-CARBALDEHYDE	A,B	2V60	0.71
4HC	4-HYDROXY-2H-CHROMEN-2-ONE	A,B	1V5Y	0.74
U01	3-[1-(4-BROMO-PHENYL)-2-METHYL- PROPYL]-4-HYDROXY-CHROMEN-2-ONE	A	1UPJ	0.83
T4A		C,D	1KGI	0.75
T4A		A,B	1Z7J	0.75
WRS	4-HYDROXY-3-[(1S,3S)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE	A	1HA2	0.71
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PIT	0.77
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ1	0.77
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PIU	0.77
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PKL	0.77
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A,B	3D57	0.77
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ2	0.77
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2QPY	0.77
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ0	0.77
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NUO	0.77
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A,B	2PIN	0.77