MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03481465

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
HOM	7-HYDROXY-4-METHYL-3-(2-HYDROXY- ETHYL)COUMARIN	C,D	1CJF	0.72
FRR	(3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY- 14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO- 1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)- DIONE	A	2E14	0.72
HMY	(1aR,8S,13S,14S,15aR)-5,13,14-trihydroxy- 3-methoxy-8-methyl-8,9,13,14,15,15a- hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine- 6,12(1aH)-dione	A,B	3C9W	0.72
VXX	VANILLATE	A,B	1WB6	0.77
4HP	4-HYDROXYPHENYLACETATE	A,B,C,D	2JBT	0.7
4HP	4-HYDROXYPHENYLACETATE	A	2YYJ	0.7
4HP	4-HYDROXYPHENYLACETATE	A	2YYM	0.7
4HP	4-HYDROXYPHENYLACETATE	B	1AI6	0.7
4HP	4-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCG	0.7
IHB	3-IODO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCI	0.73
U01	3-[1-(4-BROMO-PHENYL)-2-METHYL- PROPYL]-4-HYDROXY-CHROMEN-2-ONE	A	1UPJ	0.72
QSO	5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one	A,B	2QYO	0.71
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A,B	3B56	0.72
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A	2BXL	0.72
OMD	2-(3,6-DIHYDROXYPHENYL)ACETIC ACID	A,B	1AJP	0.74
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.7
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.7
FHB	3-FLUORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCF	0.73
G50	3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE	A,B	2UXI	0.71
MOA	MYCOPHENOLIC ACID	A	1ME7	0.72
MOA	MYCOPHENOLIC ACID	A,B	1JR1	0.72
MOA	MYCOPHENOLIC ACID	A	1MEI	0.72
MOA	MYCOPHENOLIC ACID	A	1MEH	0.72
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOD	0.77
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOE	0.77
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1PBB	0.77
FL9		A,B	1THC	0.73
34D	3,5-DIHYDROXYBENZOATE	A,B	2BX7	0.85
G12	3,8-DIBROMO-7-HYDROXY-4-METHYL- 2H-CHROMEN-2-ONE	A	2QC6	0.74
VNL	4-HYDROXY-3-METHOXYBENZOATE	A,B,C,D	2AHC	0.78
VNL	4-HYDROXY-3-METHOXYBENZOATE	A	1XLR	0.78
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3CMP	0.76
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MD9	0.76
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MDB	0.76
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	1L6M	0.76
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3BY0	0.76
HMO	4'-HYDROXY-7-METHOXYISOFLAVONE	A	1FP2	0.71
HIB	4-HYDROXY-5-IODO-2,3-DIMETHOXY- 6-METHYLBENZOIC ACID	A	2PIK	0.7
SAL	2-HYDROXYBENZOIC ACID	A	2I2Z	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B,C	1FIQ	0.75
SAL	2-HYDROXYBENZOIC ACID	A	2I30	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B	1PTH	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B	3DEU	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B,C,D	2E1Q	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B	3HGX	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B	3BPX	0.75
SAL	2-HYDROXYBENZOIC ACID	A	1WYG	0.75
SAL	2-HYDROXYBENZOIC ACID	A	1JGS	0.75
SAL	2-HYDROXYBENZOIC ACID	X	1M6E	0.75
SAL	2-HYDROXYBENZOIC ACID	A	3B9M	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B	1FO4	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B	1Y7I	0.75
SAL	2-HYDROXYBENZOIC ACID	A,B	2FN1	0.75
MPP	3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID	A,B	2AY3	0.7
GEN	GENISTEIN	A	1QKM	0.71
GEN	GENISTEIN	A,B	1X7J	0.71
GEN	GENISTEIN	A,B	2QA8	0.71
GEN	GENISTEIN	A	1X7R	0.71
SXX	SINAPINATE	A,B	1WB4	0.73
GRE	2,6-DIHYDROXYBENZOIC ACID	A,B,C,D	2DVU	0.78
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
SYR	SYRINGATE	A,B	1WB5	0.8
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	M,N,O,P,Q,R	3PCN	0.7
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	B	1AI4	0.7
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	A,B,C,D	1Q0C	0.7
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	A,B	1F1V	0.7
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.79
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.79
PHB	P-HYDROXYBENZOIC ACID	A	1CJ4	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1DOB	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1PXB	0.75
PHB	P-HYDROXYBENZOIC ACID	A,B	1G1B	0.75
PHB	P-HYDROXYBENZOIC ACID	A,B	1YKJ	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1IUV	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1PBE	0.75
PHB	P-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCC	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1PDH	0.75
PHB	P-HYDROXYBENZOIC ACID	B	2BUW	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1CC4	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1CC6	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1IUW	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1FW9	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1G81	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1BGJ	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1IUX	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1CJ3	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1D7L	0.75
PHB	P-HYDROXYBENZOIC ACID	A	2PHH	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1BGN	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1PXA	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1DOC	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1K0I	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1BKW	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1JD3	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1PXC	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1TT8	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1CJ2	0.75
PHB	P-HYDROXYBENZOIC ACID	A,B	1Q4S	0.75
PHB	P-HYDROXYBENZOIC ACID	A	1BF3	0.75
PHB	P-HYDROXYBENZOIC ACID	B	2BUR	0.75
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3GCL	0.74
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2QQT	0.74
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1TGM	0.74
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2G5J	0.74
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1OXR	0.74
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3HWY	0.74
OEF	3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACID	A	2J4A	0.73
V55	4-hydroxy-3-methoxybenzaldehyde	B,D,E,F	2VSS	0.7
V55	4-hydroxy-3-methoxybenzaldehyde	A,B,D,E,F	2VSU	0.7
FLV	FLAVIOLIN	A	1ZDW	0.72
FLV	FLAVIOLIN	A	1T93	0.72
FLV	FLAVIOLIN	A	2D09	0.72
FDS	FLUORESCIN	H	4FAB	0.7
SN1	2,4-DIHYDROXY-TRANS CINNAMIC ACID	1	1K2I	0.74
DHB	3,4-DIHYDROXYBENZOIC ACID	B	2BV0	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	A,B,D,F,H,J,L	1YKP	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	A	1N8Q	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	A,B	2BSL	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D,F,H,J,L	1YKL	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D	1B4U	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	A	3DX5	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCA	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D,F,H,J,L	1YKN	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	B	1EOB	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	A	1PHH	0.76
DHB	3,4-DIHYDROXYBENZOIC ACID	B	2BUV	0.76
OHP	(2-HYDROXYPHENYL)ACETIC ACID	A	2INZ	0.72
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.72
3HP	3-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCE	0.73
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RH4	0.7
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	3CSD	0.7
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHR	0.7
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	1F0Q	0.7
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3C13	0.7
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHC	0.7
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3BQC	0.7
FL8	6,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONE	B,C	1KGJ	0.75
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.77
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
789	3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE	A,B	1ZAF	0.73
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
MGI	methyl 4-(2,3-dihydroxy-5-methylphenoxy)- 2-hydroxy-6-methylbenzoate	A	2ZA0	0.7
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.8
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.8