MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00285596

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Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
789	3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE	A,B	1ZAF	0.76
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5A	0.87
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5C	0.87
156	4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID	A	1FCZ	0.72
AKV	{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE	A,B,C,D	2F99	0.78
254	6-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FD0	0.7
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.71
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.7
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.7
NCZ	2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE- 1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY- CYCLOPENT-3-ENYL ESTER	A	1J5I	0.73
FHI		A,B	1Y1D	0.76
VII	2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID	A,B	2GFK	0.7
U01	3-[1-(4-BROMO-PHENYL)-2-METHYL- PROPYL]-4-HYDROXY-CHROMEN-2-ONE	A	1UPJ	0.73
BHF	2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE	A	2HI4	0.73
EQU	EQUILENIN	A,B	1OGX	0.72
EQU	EQUILENIN	A,B,C,D,E,F	1QJG	0.72
EQU	EQUILENIN	A,B	1OH0	0.72
EQU	EQUILENIN	A	1W6Y	0.72
EQU	EQUILENIN	A,B	1CQS	0.72
EQU	EQUILENIN	A	1OGZ	0.72
EQU	EQUILENIN	A	1GS3	0.72
EQU	EQUILENIN	A	1OHO	0.72
DXB	1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYDROXY-7-METHYL-ANTHRACENE	A,B	1BP8	0.74
DBF	DIBENZOFURAN-4,6-DICARBOXYLIC ACID	B	1DVU	0.71
NPS	(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid	A	2VDB	0.71
2BC	N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]naphthalene- 2-carbohydrazide	A,B,C,D,E,F	3DP0	0.7
184	6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FCX	0.74
3CA		A,B	2B77	0.74
3TN	(2E)-3-[4-HYDROXY-3-(3-METHOXY- 5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-YL)PHENYL]ACRYLIC ACID	A	2P1T	0.72
SAL	2-HYDROXYBENZOIC ACID	A	2I2Z	0.73
SAL	2-HYDROXYBENZOIC ACID	A,B,C	1FIQ	0.73
SAL	2-HYDROXYBENZOIC ACID	A	2I30	0.73
SAL	2-HYDROXYBENZOIC ACID	A,B	1PTH	0.73
SAL	2-HYDROXYBENZOIC ACID	A,B	3DEU	0.73
SAL	2-HYDROXYBENZOIC ACID	A,B,C,D	2E1Q	0.73
SAL	2-HYDROXYBENZOIC ACID	A,B	3HGX	0.73
SAL	2-HYDROXYBENZOIC ACID	A,B	3BPX	0.73
SAL	2-HYDROXYBENZOIC ACID	A	1WYG	0.73
SAL	2-HYDROXYBENZOIC ACID	A	1JGS	0.73
SAL	2-HYDROXYBENZOIC ACID	X	1M6E	0.73
SAL	2-HYDROXYBENZOIC ACID	A	3B9M	0.73
SAL	2-HYDROXYBENZOIC ACID	A,B	1FO4	0.73
SAL	2-HYDROXYBENZOIC ACID	A,B	1Y7I	0.73
SAL	2-HYDROXYBENZOIC ACID	A,B	2FN1	0.73
TTB	4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID	A	1XAP	0.72
DXA	1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE	A,B	1CP8	0.74
CRH	1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYROXY-7-METHYLANTHRACENE	A,B	146D	0.74
CRH	1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYROXY-7-METHYLANTHRACENE	A,B	207D	0.74
ANF	ANTHRONE	H	2BJM	0.71
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3CMP	0.73
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MD9	0.73
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MDB	0.73
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	1L6M	0.73
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3BY0	0.73
OEF	3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACID	A	2J4A	0.73
G50	3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE	A,B	2UXI	0.73
A15	3'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN- 1-ONE	A	1TSL	0.71
564	6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID	A	1FCY	0.76
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	2BXE	0.79
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	3D2T	0.79
FLV	FLAVIOLIN	A	1ZDW	0.7
FLV	FLAVIOLIN	A	1T93	0.7
FLV	FLAVIOLIN	A	2D09	0.7
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.73
2E3	(2E)-3-[4-hydroxy-3-(3,5,5,8,8- pentamethyl-5,6,7,8-tetrahydronaphthalen- 2-yl)phenyl]prop-2-enoic acid	A	3FUG	0.74
SDN	[(3S)-9-hydroxy-1-methyl-10-oxo- 4,10-dihydro-3H-benzo[g]isochromen- 3-yl]acetic acid	A,B	3B6C	0.73
JUG	5-hydroxynaphthalene-1,4-dione	A,B,C,D,E,F	3B7J	0.72
NGV	METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE	A,B,C,D	2F98	0.76
NGV	METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE	A	1SJW	0.76
ORE	4-(2,7-DIFLUORO-6-HYDROXY-3-OXO- 3H-XANTHEN-9-YL)ISOPHTHALIC ACID	H,I	2A9N	0.7
ADL	(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID	A,B	1N5S	0.83
OAL	(1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID	B	1N5T	0.83
CPH	1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE	A,B	1D83	0.7
CPH	1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE	A,B	1EKH	0.7
CPH	1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE	A,B	1EKI	0.7
CPH	1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE	A,B,C,D	1VAQ	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
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RH4	0.78
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	3CSD	0.78
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHR	0.78
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	1F0Q	0.78
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3C13	0.78
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHC	0.78
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3BQC	0.78
ZCT		A,B,C,D,E,F, G,H	3B6A	0.71
MUF	(8alpha,10alpha,13alpha,17beta)- 17-[(4-hydroxyphenyl)carbonyl]androsta- 3,5-diene-3-carboxylic acid	A,B	3BEJ	0.7
GA9	3,3-BIS(3-BROMO-4-HYDROXYPHENYL)- 7-CHLORO-1H,3H-BENZO[DE]ISOCHROMEN- 1-ONE	A,B,C,D	2A9W	0.77
FDS	FLUORESCIN	H	4FAB	0.74
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.74
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.74
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOD	0.71
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOE	0.71
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1PBB	0.71
GRE	2,6-DIHYDROXYBENZOIC ACID	A,B,C,D	2DVU	0.71
FL8	6,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONE	B,C	1KGJ	0.74