MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00601601

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
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
FDS	FLUORESCIN	H	4FAB	0.71
L1O	4-(2-aminoethoxy)-3,5-dichlorobenzoic acid	A	2VIO	0.75
A18	5-(2-CHLOROBENZYL)-2-FUROIC ACID	A	2Q96	0.79
D1L	2-[4-(2,4-DICHLOROPHENOXY)PHENOXY]PROPANOIC ACID	A,B	1UYR	0.7
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3C3U	0.73
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3CV7	0.73
FC2	5-(2,5-DICHLOROPHENYL)-2-FUROIC ACID	A	2EVM	0.77
YRG	(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid	A	3CDP	0.83
ZZ1	4-METHYL-2H-CHROMEN-2-ONE	A	2CIP	0.76
TOM	4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID	A	2IMF	0.72
174	4-CHLORO-BENZOIC ACID	X	3DLP	0.74
174	4-CHLORO-BENZOIC ACID	X	1T5D	0.74
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PIT	0.76
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ1	0.76
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PIU	0.76
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PKL	0.76
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A,B	3D57	0.76
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ2	0.76
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2QPY	0.76
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ0	0.76
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NUO	0.76
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A,B	2PIN	0.76
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
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
EAA	ETHACRYNIC ACID	A,B	3DGQ	0.76
EAA	ETHACRYNIC ACID	A,B	11GS	0.76
EAA	ETHACRYNIC ACID	A,B,C,D	1GSF	0.76
EAA	ETHACRYNIC ACID	A,B	2GSS	0.76
EAA	ETHACRYNIC ACID	A,B	3GSS	0.76
EAA	ETHACRYNIC ACID	A,B	1GSE	0.76
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
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
DBF	DIBENZOFURAN-4,6-DICARBOXYLIC ACID	B	1DVU	0.71
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
FCD	5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACID	A	1XNZ	0.77
3BZ	3-chlorobenzoate	X	2QVZ	0.73
3BZ	3-chlorobenzoate	X	2QVX	0.73
DCN	DICLOSAN	A,B,C,D	2PD4	0.7
VII	2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID	A,B	2GFK	0.72
RWF	R-WARFARIN	A,B	2BXD	0.72
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
3CA		A,B	2B77	0.76
34Z	3,4-dichlorobenzoate	X	2QVY	0.73
34Z	3,4-dichlorobenzoate	X	2QW0	0.73
MFM	(E)-3-(5((5-(4-CHLOROPHENYL)FURAN- 2-YL)METHYLENE)-4-OXO-2-THIOXOTHIAZOLIDIN- 3-YL)PROPANOIC ACID	A,B	1ZXV	0.7
A15	3'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN- 1-ONE	A	1TSL	0.71
BHF	2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE	A	2HI4	0.71
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.72
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.7
FLN	2-PHENYL-4H-CHROMEN-4-ONE	A	2G0L	0.8
SWF	S-WARFARIN	A,B	1OG5	0.72
PEM	2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]- 2-METHYLPROPIONIC ACID	A,B	1IWH	0.72
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
T4A		C,D	1KGI	0.74
T4A		A,B	1Z7J	0.74
CHB	3-CHLORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCH	0.74
4HC	4-HYDROXY-2H-CHROMEN-2-ONE	A,B	1V5Y	0.73
973	(5Z)-3-(4-CHLOROPHENYL)-4-HYDROXY- 5-(1-NAPHTHYLMETHYLENE)FURAN-2(5H)- ONE	A	2Q85	0.7
DIC	3,4-DICHLOROISOCOUMARIN	A	1DIC	0.76
IH5	[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID	A	1NAV	0.77
IH5	[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID	A	1NAX	0.77
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
C17	7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H- CHROMENE-4-CARBALDEHYDE	A,B	2V60	0.81
667	6-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTA[C][1]BENZOPYRAN- 3-O-SULFAMATE	A	1TTM	0.71
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.78
BZF	BENZOFURAN	A	182L	0.74
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.76
COU	COUMARIN	A	3CRB	0.78
COU	COUMARIN	A	2PMJ	0.78
COU	COUMARIN	A	2H90	0.78
COU	COUMARIN	A,B,C,D	1Z10	0.78
COU	COUMARIN	A	2PWB	0.78