MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02661309

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
U03	4-HYDROXY-7-METHOXY-3-(1-PHENYL- PROPYL)-CHROMEN-2-ONE	A	3UPJ	0.7
NOA	NAPHTHYLOXYACETIC ACID	A,B,I	1HIV	0.71
NOA	NAPHTHYLOXYACETIC ACID	I	1IVP	0.71
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5A	0.76
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5C	0.76
RWF	R-WARFARIN	A,B	2BXD	0.73
LY2	2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN- 4-ONE	A	1YI3	0.75
LY2	2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN- 4-ONE	A	1E7V	0.75
8MO	METHOXSALEN	A,B,C,D	1Z11	0.71
ADL	(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID	A,B	1N5S	0.74
OAL	(1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID	B	1N5T	0.74
VII	2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID	A,B	2GFK	0.74
397	2-(4-HYDROXY-PHENYL)BENZOFURAN- 5-OL	A,B	1U9E	0.71
FC3	5-[2-(TRIFLUOROMETHYL)PHENYL]-2- FUROIC ACID	A	2EVC	0.72
PSO	4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN	A,B	1FHY	0.71
PSO	4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN	B	204D	0.71
PSO	4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN	A,B	2B2B	0.71
PSO	4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN	B	1FHZ	0.71
PSO	4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN	A	203D	0.71
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	2BXE	0.73
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	3D2T	0.73
NCZ	2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE- 1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY- CYCLOPENT-3-ENYL ESTER	A	1J5I	0.72
4TN	(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)-4-HYDROXYPHENYL]ACRYLIC ACID	A	2P1U	0.72
BHF	2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE	A	2HI4	0.93
DBF	DIBENZOFURAN-4,6-DICARBOXYLIC ACID	B	1DVU	0.76
NPS	(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid	A	2VDB	0.76
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.71
GEN	GENISTEIN	A	1QKM	0.76
GEN	GENISTEIN	A,B	1X7J	0.76
GEN	GENISTEIN	A,B	2QA8	0.76
GEN	GENISTEIN	A	1X7R	0.76
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	L	1FLR	0.76
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	A,B	1N0S	0.76
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	C,L	1T66	0.76
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	A	1X9Q	0.76
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	A,D	2NMV	0.76
ZZ1	4-METHYL-2H-CHROMEN-2-ONE	A	2CIP	0.72
MYU	3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A	2O64	0.72
FHI		A,B	1Y1D	0.72
MYC	3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A,B,C,D	3C1T	0.73
MYC	3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A	2O63	0.73
MYC	3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A	1E90	0.73
MYC	3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A,B,C,D	2IOD	0.73
MYF	5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A	2O65	0.74
B29	[2-(3-DIBENZOFURAN-4-YL-PHENYL)- 1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID	A,B	2E98	0.71
B29	[2-(3-DIBENZOFURAN-4-YL-PHENYL)- 1-HYDROXY-1-PHOSPHONO-ETHYL]-PHOSPHONIC ACID	A,B	2E93	0.71
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.78
HMO	4'-HYDROXY-7-METHOXYISOFLAVONE	A	1FP2	0.74
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
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
AGI	5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one	A,B,C,D,E,F	3CF9	0.77
FSE	3,7,3',4'-TETRAHYDROXYFLAVONE	B	1XO2	0.74
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3GCL	0.73
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2QQT	0.73
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1TGM	0.73
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2G5J	0.73
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1OXR	0.73
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3HWY	0.73
ORE	4-(2,7-DIFLUORO-6-HYDROXY-3-OXO- 3H-XANTHEN-9-YL)ISOPHTHALIC ACID	H,I	2A9N	0.78
NGV	METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE	A,B,C,D	2F98	0.71
NGV	METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE	A	1SJW	0.71
SB8	2-(3-BENZOYLPHENOXY)ETHYL(HYDROXY)FORMAMIDE	A	2AIA	0.7
5TN	(2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL- 3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-YL)PHENYL]ACRYLIC ACID	A	2P1V	0.71
NBF	[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID	A	1NY0	0.73
NBF	[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID	A,B	1YMS	0.73
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	B,C	1JX1	0.74
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1JX0	0.74
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1FM7	0.74
FDS	FLUORESCIN	H	4FAB	0.73
JUG	5-hydroxynaphthalene-1,4-dione	A,B,C,D,E,F	3B7J	0.73
QSO	5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one	A,B	2QYO	0.74
FL8	6,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONE	B,C	1KGJ	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	0.72
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	0.72
SDN	[(3S)-9-hydroxy-1-methyl-10-oxo- 4,10-dihydro-3H-benzo[g]isochromen- 3-yl]acetic acid	A,B	3B6C	0.72
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B,C,D,E,F	3BXX	0.74
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A	2O3P	0.74
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B	2UXH	0.74
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A	1GP6	0.74
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A	2C9Z	0.74
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B,C,D,E,F, G,H,I,J,K,L, M,N	2JJ2	0.74
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A	3BPT	0.74
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B,C,D,E,F	3CF8	0.74
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B	2HCK	0.74
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B,C,D	1H1I	0.74
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A	1E8W	0.74
SWF	S-WARFARIN	A,B	1OG5	0.73
A04	5-[2-(TRIFLUOROMETHOXY)PHENYL]- 2-FUROIC ACID	A	2Q94	0.72
FLN	2-PHENYL-4H-CHROMEN-4-ONE	A	2G0L	0.87
NAR	NARINGENIN	A,B	2UXU	0.73
NAR	NARINGENIN	A	2BRT	0.73
NAR	NARINGENIN	A	1CGK	0.73
NAR	NARINGENIN	A,B	1EYQ	0.73
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
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RH4	0.72
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	3CSD	0.72
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHR	0.72
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	1F0Q	0.72
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3C13	0.72
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHC	0.72
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3BQC	0.72
ERD	(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7- DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN- 4-ONE	D,F	2NNL	0.72
2HI	(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)- 2,3-DIHYDRO-4H-CHROMEN-4-ONE	A	1ZG3	0.72
BZF	BENZOFURAN	A	182L	0.74
DDC	7-HYDROXY-2-PHENYL-CHROMAN-4-ONE	A,B	1FM8	0.74