MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01112769

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
PEM	2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]- 2-METHYLPROPIONIC ACID	A,B	1IWH	0.71
SC4	1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]- 4-[2,6-DICHLORO-PHENYL-OXYMETHYL]- BENZENE	1,4	1EAH	0.7
SC4	1[2-CHLORO-4-METHOXY-PHENYL-OXYMETHYL]- 4-[2,6-DICHLORO-PHENYL-OXYMETHYL]- BENZENE	1,4	3EPF	0.7
SWF	S-WARFARIN	A,B	1OG5	0.71
BZF	BENZOFURAN	A	182L	0.71
FC2	5-(2,5-DICHLOROPHENYL)-2-FUROIC ACID	A	2EVM	0.78
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.71
3BZ	3-chlorobenzoate	X	2QVZ	0.7
3BZ	3-chlorobenzoate	X	2QVX	0.7
DIC	3,4-DICHLOROISOCOUMARIN	A	1DIC	0.74
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.75
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.75
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.75
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.75
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.75
L1O	4-(2-aminoethoxy)-3,5-dichlorobenzoic acid	A	2VIO	0.74
EAA	ETHACRYNIC ACID	A,B	3DGQ	0.83
EAA	ETHACRYNIC ACID	A,B	11GS	0.83
EAA	ETHACRYNIC ACID	A,B,C,D	1GSF	0.83
EAA	ETHACRYNIC ACID	A,B	2GSS	0.83
EAA	ETHACRYNIC ACID	A,B	3GSS	0.83
EAA	ETHACRYNIC ACID	A,B	1GSE	0.83
34C	(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID	A,B	1HT8	0.82
VII	2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID	A,B	2GFK	0.7
3CA		A,B	2B77	0.75
FLN	2-PHENYL-4H-CHROMEN-4-ONE	A	2G0L	0.77
NPS	(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid	A	2VDB	0.71
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5U	0.73
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	3E6B	0.73
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5X	0.73
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	2H6B	0.73
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	C	3E6C	0.73
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3GCL	0.76
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2QQT	0.76
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1TGM	0.76
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2G5J	0.76
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1OXR	0.76
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3HWY	0.76
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.76
FCD	5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACID	A	1XNZ	0.77
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	L	1FLR	0.71
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	A,B	1N0S	0.71
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	C,L	1T66	0.71
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	A	1X9Q	0.71
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	A,D	2NMV	0.71
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A	2Z9C	0.73
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A,B	1OOQ	0.73
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A,B,C,D,E,F, G,H	2F1O	0.73
YRG	(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid	A	3CDP	0.79
U03	4-HYDROXY-7-METHOXY-3-(1-PHENYL- PROPYL)-CHROMEN-2-ONE	A	3UPJ	0.71
GRR	(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid	A	3CDS	0.73
A18	5-(2-CHLOROBENZYL)-2-FUROIC ACID	A	2Q96	0.78
34Z	3,4-dichlorobenzoate	X	2QVY	0.73
34Z	3,4-dichlorobenzoate	X	2QW0	0.73
FDS	FLUORESCIN	H	4FAB	0.7
A15	3'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN- 1-ONE	A	1TSL	0.71
C17	7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H- CHROMENE-4-CARBALDEHYDE	A,B	2V60	0.8
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.71
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.71
COU	COUMARIN	A	3CRB	0.73
COU	COUMARIN	A	2PMJ	0.73
COU	COUMARIN	A	2H90	0.73
COU	COUMARIN	A,B,C,D	1Z10	0.73
COU	COUMARIN	A	2PWB	0.73
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
RWF	R-WARFARIN	A,B	2BXD	0.71
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
ZZ1	4-METHYL-2H-CHROMEN-2-ONE	A	2CIP	0.75
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.71