MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02318603

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
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	B,C	1JX1	0.79
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1JX0	0.79
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1FM7	0.79
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.71
DDC	7-HYDROXY-2-PHENYL-CHROMAN-4-ONE	A,B	1FM8	0.79
34C	(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID	A,B	1HT8	0.71
C17	7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H- CHROMENE-4-CARBALDEHYDE	A,B	2V60	0.72
EAA	ETHACRYNIC ACID	A,B	3DGQ	0.71
EAA	ETHACRYNIC ACID	A,B	11GS	0.71
EAA	ETHACRYNIC ACID	A,B,C,D	1GSF	0.71
EAA	ETHACRYNIC ACID	A,B	2GSS	0.71
EAA	ETHACRYNIC ACID	A,B	3GSS	0.71
EAA	ETHACRYNIC ACID	A,B	1GSE	0.71
YRG	(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid	A	3CDP	0.71
DIC	3,4-DICHLOROISOCOUMARIN	A	1DIC	0.72
DBF	DIBENZOFURAN-4,6-DICARBOXYLIC ACID	B	1DVU	0.71
GAJ	N-TETRAZOL-5-YL 9-OXO-9H-XANTHENE- 2 SULPHONAMIDE	A	2C4W	0.72
HXP	3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACID	A	1XAN	0.71
LY2	2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN- 4-ONE	A	1YI3	0.72
LY2	2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN- 4-ONE	A	1E7V	0.72
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.71
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
VII	2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID	A,B	2GFK	0.72
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.83
COU	COUMARIN	A	3CRB	0.71
COU	COUMARIN	A	2PMJ	0.71
COU	COUMARIN	A	2H90	0.71
COU	COUMARIN	A,B,C,D	1Z10	0.71
COU	COUMARIN	A	2PWB	0.71
RWF	R-WARFARIN	A,B	2BXD	0.72
ZZ1	4-METHYL-2H-CHROMEN-2-ONE	A	2CIP	0.72
2HI	(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)- 2,3-DIHYDRO-4H-CHROMEN-4-ONE	A	1ZG3	0.75
A18	5-(2-CHLOROBENZYL)-2-FUROIC ACID	A	2Q96	0.7
FL8	6,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONE	B,C	1KGJ	0.7
HMO	4'-HYDROXY-7-METHOXYISOFLAVONE	A	1FP2	0.73
3CA		A,B	2B77	0.71
GEN	GENISTEIN	A	1QKM	0.74
GEN	GENISTEIN	A,B	1X7J	0.74
GEN	GENISTEIN	A,B	2QA8	0.74
GEN	GENISTEIN	A	1X7R	0.74
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B,C,D,E,F	3BXX	0.72
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A	2O3P	0.72
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B	2UXH	0.72
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A	1GP6	0.72
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A	2C9Z	0.72
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B,C,D,E,F, G,H,I,J,K,L, M,N	2JJ2	0.72
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A	3BPT	0.72
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B,C,D,E,F	3CF8	0.72
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B	2HCK	0.72
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B,C,D	1H1I	0.72
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A	1E8W	0.72
DH2	(2S,3S)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE	A	1GP5	0.72
DH2	(2S,3S)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE	A	1GP6	0.72
BVL	(2E)-1-[2-hydroxy-4-methoxy-5-(3- methylbut-2-en-1-yl)phenyl]-3-(4- hydroxyphenyl)prop-2-en-1-one	A	2ZBH	0.73
ERD	(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7- DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN- 4-ONE	D,F	2NNL	0.74
AGI	5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one	A,B,C,D,E,F	3CF9	0.77
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A	2Z9C	0.81
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A,B	1OOQ	0.81
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A,B,C,D,E,F, G,H	2F1O	0.81
NAR	NARINGENIN	A,B	2UXU	0.78
NAR	NARINGENIN	A	2BRT	0.78
NAR	NARINGENIN	A	1CGK	0.78
NAR	NARINGENIN	A,B	1EYQ	0.78
SWF	S-WARFARIN	A,B	1OG5	0.72
BHF	2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE	A	2HI4	0.79
MYU	3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A	2O64	0.7
SB8	2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE	A	2AIA	0.7
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
DQH	(2R,3R)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE	A	1GP5	0.72
DQH	(2R,3R)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE	D,F	2C29	0.72
FDS	FLUORESCIN	H	4FAB	0.73
SAK	(2S)-5-hydroxy-2-(4-hydroxyphenyl)- 7-methoxy-2,3-dihydro-4H-chromen- 4-one	A,B,C,D,E,F	3D04	0.77
MYF	5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A	2O65	0.72
MYC	3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A,B,C,D	3C1T	0.7
MYC	3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A	2O63	0.7
MYC	3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A	1E90	0.7
MYC	3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A,B,C,D	2IOD	0.7
BZF	BENZOFURAN	A	182L	0.73
FLN	2-PHENYL-4H-CHROMEN-4-ONE	A	2G0L	0.87
IH5	[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID	A	1NAV	0.7
IH5	[4-(4-HYDROXY-3-ISOPROPYLPHENOXY)- 3,5-DIMETHYLPHENYL]ACETIC ACID	A	1NAX	0.7
KMP	3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A,B,C,D	1H1M	0.75
KMP	3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A	2C1Z	0.75
FSE	3,7,3',4'-TETRAHYDROXYFLAVONE	B	1XO2	0.72
QSO	5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one	A,B	2QYO	0.73