MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02670004

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
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5U	0.72
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	3E6B	0.72
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5X	0.72
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	2H6B	0.72
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	C	3E6C	0.72
PEM	2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]- 2-METHYLPROPIONIC ACID	A,B	1IWH	0.71
174	4-CHLORO-BENZOIC ACID	X	3DLP	0.72
174	4-CHLORO-BENZOIC ACID	X	1T5D	0.72
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.74
YRG	(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid	A	3CDP	0.8
VII	2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID	A,B	2GFK	0.73
FC2	5-(2,5-DICHLOROPHENYL)-2-FUROIC ACID	A	2EVM	0.78
FDS	FLUORESCIN	H	4FAB	0.71
3BZ	3-chlorobenzoate	X	2QVZ	0.72
3BZ	3-chlorobenzoate	X	2QVX	0.72
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.71
VXX	VANILLATE	A,B	1WB6	0.72
DIC	3,4-DICHLOROISOCOUMARIN	A	1DIC	0.74
A18	5-(2-CHLOROBENZYL)-2-FUROIC ACID	A	2Q96	0.79
BHF	2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE	A	2HI4	0.72
MPP	3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID	A,B	2AY3	0.73
8CM	8-HYDROXYCOUMARIN	A	2H8Z	0.71
TOM	4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID	A	2IMF	0.72
SB8	2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE	A	2AIA	0.71
3CA		A,B	2B77	0.75
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
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A	2Z9C	0.74
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A,B	1OOQ	0.74
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A,B,C,D,E,F, G,H	2F1O	0.74
SC4	1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]- 4-[2,6-DICHLORO-PHENYL-OXYMETHYL]- BENZENE	1,4	1EAH	0.73
SC4	1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]- 4-[2,6-DICHLORO-PHENYL-OXYMETHYL]- BENZENE	1,4	3EPF	0.73
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
34C	(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID	A,B	1HT8	0.81
B21	5-(2-METHOXYPHENYL)-2-FUROIC ACID	A	2Q93	0.7
DBF	DIBENZOFURAN-4,6-DICARBOXYLIC ACID	B	1DVU	0.71
L1O	4-(2-aminoethoxy)-3,5-dichlorobenzoic acid	A	2VIO	0.72
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
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
FLN	2-PHENYL-4H-CHROMEN-4-ONE	A	2G0L	0.78
RWF	R-WARFARIN	A,B	2BXD	0.72
ZZ1	4-METHYL-2H-CHROMEN-2-ONE	A	2CIP	0.77
U03	4-HYDROXY-7-METHOXY-3-(1-PHENYL- PROPYL)-CHROMEN-2-ONE	A	3UPJ	0.71
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.72
FCD	5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACID	A	1XNZ	0.8
GRR	(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid	A	3CDS	0.73
YE6	5-(2-chlorophenyl)furan-2-carbohydrazide	A	2P9A	0.7
YE6	5-(2-chlorophenyl)furan-2-carbohydrazide	A	2P99	0.7
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.71
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.71
NPS	(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid	A	2VDB	0.73
SWF	S-WARFARIN	A,B	1OG5	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
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	L	1FLR	0.72
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	A,B	1N0S	0.72
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	C,L	1T66	0.72
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	A	1X9Q	0.72
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	A,D	2NMV	0.72
C17	7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H- CHROMENE-4-CARBALDEHYDE	A,B	2V60	0.79
VNL	4-HYDROXY-3-METHOXYBENZOATE	A,B,C,D	2AHC	0.71
VNL	4-HYDROXY-3-METHOXYBENZOATE	A	1XLR	0.71
BZF	BENZOFURAN	A	182L	0.73
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
CHB	3-CHLORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCH	0.73
T4A		C,D	1KGI	0.73
T4A		A,B	1Z7J	0.73
IH5	[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID	A	1NAV	0.78
IH5	[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID	A	1NAX	0.78
EAA	ETHACRYNIC ACID	A,B	3DGQ	0.77
EAA	ETHACRYNIC ACID	A,B	11GS	0.77
EAA	ETHACRYNIC ACID	A,B,C,D	1GSF	0.77
EAA	ETHACRYNIC ACID	A,B	2GSS	0.77
EAA	ETHACRYNIC ACID	A,B	3GSS	0.77
EAA	ETHACRYNIC ACID	A,B	1GSE	0.77