MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01403469

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
AGI	5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one	A,B,C,D,E,F	3CF9	0.71
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.73
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.73
G50	3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE	A,B	2UXI	0.8
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
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOD	0.73
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOE	0.73
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1PBB	0.73
555	4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME	A,B	2NV7	0.73
FLV	FLAVIOLIN	A	1ZDW	0.71
FLV	FLAVIOLIN	A	1T93	0.71
FLV	FLAVIOLIN	A	2D09	0.71
SAL	2-HYDROXYBENZOIC ACID	A	2I2Z	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B,C	1FIQ	0.7
SAL	2-HYDROXYBENZOIC ACID	A	2I30	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B	1PTH	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B	3DEU	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B,C,D	2E1Q	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B	3HGX	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B	3BPX	0.7
SAL	2-HYDROXYBENZOIC ACID	A	1WYG	0.7
SAL	2-HYDROXYBENZOIC ACID	A	1JGS	0.7
SAL	2-HYDROXYBENZOIC ACID	X	1M6E	0.7
SAL	2-HYDROXYBENZOIC ACID	A	3B9M	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B	1FO4	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B	1Y7I	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B	2FN1	0.7
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.8
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	B,C	1JX1	0.71
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1JX0	0.71
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1FM7	0.71
NAR	NARINGENIN	A,B	2UXU	0.71
NAR	NARINGENIN	A	2BRT	0.71
NAR	NARINGENIN	A	1CGK	0.71
NAR	NARINGENIN	A,B	1EYQ	0.71
2BC	N'-[(1E)-(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]naphthalene- 2-carbohydrazide	A,B,C,D,E,F	3DP0	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1CJ4	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1DOB	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1PXB	0.71
PHB	P-HYDROXYBENZOIC ACID	A,B	1G1B	0.71
PHB	P-HYDROXYBENZOIC ACID	A,B	1YKJ	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1IUV	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1PBE	0.71
PHB	P-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCC	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1PDH	0.71
PHB	P-HYDROXYBENZOIC ACID	B	2BUW	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1CC4	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1CC6	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1IUW	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1FW9	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1G81	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1BGJ	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1IUX	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1CJ3	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1D7L	0.71
PHB	P-HYDROXYBENZOIC ACID	A	2PHH	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1BGN	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1PXA	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1DOC	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1K0I	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1BKW	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1JD3	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1PXC	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1TT8	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1CJ2	0.71
PHB	P-HYDROXYBENZOIC ACID	A,B	1Q4S	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1BF3	0.71
PHB	P-HYDROXYBENZOIC ACID	B	2BUR	0.71
GRE	2,6-DIHYDROXYBENZOIC ACID	A,B,C,D	2DVU	0.72
4BB	4-tert-butyl-N'-[(1E)-(3,5-dibromo- 2,4-dihydroxyphenyl)methylidene]benzohydrazide	A,B,C,D,E,F	3DP3	0.73
SN1	2,4-DIHYDROXY-TRANS CINNAMIC ACID	1	1K2I	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
ADL	(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID	A,B	1N5S	0.72
OAL	(1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID	B	1N5T	0.72
OX4	3-FLUORO-4-HYDROXYBENZALDEHYDE O- (CYCLOHEXYLCARBONYL)OXIME	A,B,C	2OOW	0.75
SAK	(2S)-5-hydroxy-2-(4-hydroxyphenyl)- 7-methoxy-2,3-dihydro-4H-chromen- 4-one	A,B,C,D,E,F	3D04	0.71
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RH4	0.75
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	3CSD	0.75
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHR	0.75
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	1F0Q	0.75
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3C13	0.75
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHC	0.75
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3BQC	0.75
34D	3,5-DIHYDROXYBENZOATE	A,B	2BX7	0.71
HMO	4'-HYDROXY-7-METHOXYISOFLAVONE	A	1FP2	0.73
789	3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE	A,B	1ZAF	0.7
55E	4-(4-hydroxy-3-methylphenyl)-6- phenylpyrimidin-2(5H)-one	A	3DCV	0.73
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.77
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.7
4BE	4-bromo-N'-[(1E)-(3,5-dibromo-2,4- dihydroxyphenyl)methylidene]benzohydrazide	A,B,C,D,E,F	3DP2	0.73
OX3	4-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIME	A,B,C	2OOH	0.77
3BE	3-bromo-N'-[(1E)-(3,5-dibromo-2,4- dihydroxyphenyl)methylidene]benzohydrazide	A,B,C,D,E,F	3DOZ	0.73
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	0.75
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5A	0.72
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5C	0.72
PY9	4-{[(2R)-2-(2-methylphenyl)pyrrolidin- 1-yl]carbonyl}benzene-1,3-diol	A,B	3EKR	0.71
DDC	7-HYDROXY-2-PHENYL-CHROMAN-4-ONE	A,B	1FM8	0.72
KMP	3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A,B,C,D	1H1M	0.7
KMP	3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A	2C1Z	0.7
GEN	GENISTEIN	A	1QKM	0.73
GEN	GENISTEIN	A,B	1X7J	0.73
GEN	GENISTEIN	A,B	2QA8	0.73
GEN	GENISTEIN	A	1X7R	0.73
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
FDS	FLUORESCIN	H	4FAB	0.73
OX5	4-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIME	A,B,C	2OOZ	0.71
QSO	5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one	A,B	2QYO	0.73