MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03309196

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
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B	2TPL	0.72
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B,C,D	3GGP	0.72
ADL	(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID	A,B	1N5S	0.73
OAL	(1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID	B	1N5T	0.73
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	2BXE	0.78
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	3D2T	0.78
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOD	0.84
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOE	0.84
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1PBB	0.84
PSN	BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4K	0.72
789	3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE	A,B	1ZAF	0.71
DHB	3,4-DIHYDROXYBENZOIC ACID	B	2BV0	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	A,B,D,F,H,J,L	1YKP	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	A	1N8Q	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	A,B	2BSL	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D,F,H,J,L	1YKL	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D	1B4U	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	A	3DX5	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCA	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D,F,H,J,L	1YKN	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	B	1EOB	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	A	1PHH	0.72
DHB	3,4-DIHYDROXYBENZOIC ACID	B	2BUV	0.72
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5A	0.76
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5C	0.76
L41	{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid	A,B	3D5F	0.73
OMD	2-(3,6-DIHYDROXYPHENYL)ACETIC ACID	A,B	1AJP	0.73
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RH4	0.8
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	3CSD	0.8
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHR	0.8
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	1F0Q	0.8
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3C13	0.8
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHC	0.8
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3BQC	0.8
OAC	TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE	C	3GCH	0.74
DH2	(2S,3S)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE	A	1GP5	0.71
DH2	(2S,3S)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE	A	1GP6	0.71
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	H,I	1A2C	0.72
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	A,B,C	1CA7	0.72
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	A,B,C,D	3GGO	0.72
AGI	5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one	A,B,C,D,E,F	3CF9	0.79
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.9
FLV	FLAVIOLIN	A	1ZDW	0.81
FLV	FLAVIOLIN	A	1T93	0.81
FLV	FLAVIOLIN	A	2D09	0.81
159	2-HYDROXY-5-(2-MERCAPTO-ETHYLSULFAMOYL)- BENZOIC ACID	A,B	1NME	0.71
34D	3,5-DIHYDROXYBENZOATE	A,B	2BX7	0.75
HBA	P-HYDROXYBENZALDEHYDE	A	1K03	0.75
HBA	P-HYDROXYBENZALDEHYDE	A,B	2VQ5	0.75
HBA	P-HYDROXYBENZALDEHYDE	A,B	1EB9	0.75
HBA	P-HYDROXYBENZALDEHYDE	A	2GQ9	0.75
HBA	P-HYDROXYBENZALDEHYDE	A,B	1Z42	0.75
HBA	P-HYDROXYBENZALDEHYDE	A	1OYB	0.75
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	M,N,O,P,Q,R	3PCN	0.72
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	B	1AI4	0.72
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	A,B,C,D	1Q0C	0.72
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	A,B	1F1V	0.72
23A	2,3-DIHYDROXYBENZALDEHYDE	A,B,C,D	2DVX	0.72
AKV	{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE	A,B,C,D	2F99	0.73
GEN	GENISTEIN	A	1QKM	0.79
GEN	GENISTEIN	A,B	1X7J	0.79
GEN	GENISTEIN	A,B	2QA8	0.79
GEN	GENISTEIN	A	1X7R	0.79
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.82
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.72
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.72
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.72
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.72
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.72
3CA		A,B	2B77	0.73
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A,B	3B56	0.75
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A	2BXL	0.75
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	0.73
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.75
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.75
SDN	[(3S)-9-hydroxy-1-methyl-10-oxo- 4,10-dihydro-3H-benzo[g]isochromen- 3-yl]acetic acid	A,B	3B6C	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3GCL	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2QQT	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1TGM	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2G5J	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1OXR	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3HWY	0.71
SAK	(2S)-5-hydroxy-2-(4-hydroxyphenyl)- 7-methoxy-2,3-dihydro-4H-chromen- 4-one	A,B,C,D,E,F	3D04	0.76
STL	RESVERATROL	A,B	3CKL	0.71
STL	RESVERATROL	A,B,C,D	1U0W	0.71
STL	RESVERATROL	A	1CGZ	0.71
STL	RESVERATROL	A,B,C,D,E,F, G,H,I,J,K,L, M,N	2JIZ	0.71
STL	RESVERATROL	A	1Z1F	0.71
STL	RESVERATROL	A	1DVS	0.71
STL	RESVERATROL	A,B	1SG0	0.71
4HP	4-HYDROXYPHENYLACETATE	A,B,C,D	2JBT	0.73
4HP	4-HYDROXYPHENYLACETATE	A	2YYJ	0.73
4HP	4-HYDROXYPHENYLACETATE	A	2YYM	0.73
4HP	4-HYDROXYPHENYLACETATE	B	1AI6	0.73
4HP	4-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCG	0.73
MGI	methyl 4-(2,3-dihydroxy-5-methylphenoxy)- 2-hydroxy-6-methylbenzoate	A	2ZA0	0.71
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
DQH	(2R,3R)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE	A	1GP5	0.71
DQH	(2R,3R)-2-(3,4-DIHYDROXYPHENYL)- 3,5,7-TRIHYDROXY-2,3-DIHYDRO-4H- CHROMEN-4-ONE	D,F	2C29	0.71
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	0.81
FLN	2-PHENYL-4H-CHROMEN-4-ONE	A	2G0L	0.7
DDC	7-HYDROXY-2-PHENYL-CHROMAN-4-ONE	A,B	1FM8	0.78
KMP	3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A,B,C,D	1H1M	0.77
KMP	3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A	2C1Z	0.77
MYU	3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A	2O64	0.72
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	B,C	1JX1	0.77
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1JX0	0.77
DFV	7-HYDROXY-2-(4-HYDROXY-PHENYL)- CHROMAN-4-ONE	A,B	1FM7	0.77
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
NAR	NARINGENIN	A,B	2UXU	0.77
NAR	NARINGENIN	A	2BRT	0.77
NAR	NARINGENIN	A	1CGK	0.77
NAR	NARINGENIN	A,B	1EYQ	0.77
SAL	2-HYDROXYBENZOIC ACID	A	2I2Z	0.79
SAL	2-HYDROXYBENZOIC ACID	A,B,C	1FIQ	0.79
SAL	2-HYDROXYBENZOIC ACID	A	2I30	0.79
SAL	2-HYDROXYBENZOIC ACID	A,B	1PTH	0.79
SAL	2-HYDROXYBENZOIC ACID	A,B	3DEU	0.79
SAL	2-HYDROXYBENZOIC ACID	A,B,C,D	2E1Q	0.79
SAL	2-HYDROXYBENZOIC ACID	A,B	3HGX	0.79
SAL	2-HYDROXYBENZOIC ACID	A,B	3BPX	0.79
SAL	2-HYDROXYBENZOIC ACID	A	1WYG	0.79
SAL	2-HYDROXYBENZOIC ACID	A	1JGS	0.79
SAL	2-HYDROXYBENZOIC ACID	X	1M6E	0.79
SAL	2-HYDROXYBENZOIC ACID	A	3B9M	0.79
SAL	2-HYDROXYBENZOIC ACID	A,B	1FO4	0.79
SAL	2-HYDROXYBENZOIC ACID	A,B	1Y7I	0.79
SAL	2-HYDROXYBENZOIC ACID	A,B	2FN1	0.79
G50	3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE	A,B	2UXI	0.89
FHB	3-FLUORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCF	0.76
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.8
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.8
MYF	5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A	2O65	0.74
2HI	(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)- 2,3-DIHYDRO-4H-CHROMEN-4-ONE	A	1ZG3	0.73
SN1	2,4-DIHYDROXY-TRANS CINNAMIC ACID	1	1K2I	0.75
DZN	DAIDZIN	A,B,C,D,E,F, G,H	2VLE	0.7
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.71
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.71
GRE	2,6-DIHYDROXYBENZOIC ACID	A,B,C,D	2DVU	0.8
QSO	5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one	A,B	2QYO	0.78
PY9	4-{[(2R)-2-(2-methylphenyl)pyrrolidin- 1-yl]carbonyl}benzene-1,3-diol	A,B	3EKR	0.71
CHB	3-CHLORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCH	0.7
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	0.71
FSE	3,7,3',4'-TETRAHYDROXYFLAVONE	B	1XO2	0.74
2PB	2-[(DIOXIDOPHOSPHINO)OXY]BENZOATE	A	1SDE	0.71
JUG	5-hydroxynaphthalene-1,4-dione	A,B,C,D,E,F	3B7J	0.77
OHP	(2-HYDROXYPHENYL)ACETIC ACID	A	2INZ	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1CJ4	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1DOB	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1PXB	0.78
PHB	P-HYDROXYBENZOIC ACID	A,B	1G1B	0.78
PHB	P-HYDROXYBENZOIC ACID	A,B	1YKJ	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1IUV	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1PBE	0.78
PHB	P-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCC	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1PDH	0.78
PHB	P-HYDROXYBENZOIC ACID	B	2BUW	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1CC4	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1CC6	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1IUW	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1FW9	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1G81	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1BGJ	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1IUX	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1CJ3	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1D7L	0.78
PHB	P-HYDROXYBENZOIC ACID	A	2PHH	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1BGN	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1PXA	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1DOC	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1K0I	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1BKW	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1JD3	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1PXC	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1TT8	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1CJ2	0.78
PHB	P-HYDROXYBENZOIC ACID	A,B	1Q4S	0.78
PHB	P-HYDROXYBENZOIC ACID	A	1BF3	0.78
PHB	P-HYDROXYBENZOIC ACID	B	2BUR	0.78
MUF	(8alpha,10alpha,13alpha,17beta)- 17-[(4-hydroxyphenyl)carbonyl]androsta- 3,5-diene-3-carboxylic acid	A,B	3BEJ	0.7
HMO	4'-HYDROXY-7-METHOXYISOFLAVONE	A	1FP2	0.78
TDS	8-HYDROXY-5,7-DIMETHOXY-3-METHYL- 2-TRIDECYL-4H-CHROMEN-4-ONE	A,B,C,D,L,R	1Q90	0.7
TDS	8-HYDROXY-5,7-DIMETHOXY-3-METHYL- 2-TRIDECYL-4H-CHROMEN-4-ONE	A,B,C,D,G	2E76	0.7
TDS	8-HYDROXY-5,7-DIMETHOXY-3-METHYL- 2-TRIDECYL-4H-CHROMEN-4-ONE	A,B,C,D,E,N, O,P,Q,R	1VF5	0.7
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.74
MYC	3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A,B,C,D	3C1T	0.72
MYC	3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A	2O63	0.72
MYC	3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A	1E90	0.72
MYC	3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A,B,C,D	2IOD	0.72
3HP	3-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCE	0.74
219	CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4I	0.73
IHB	3-IODO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCI	0.76
SIG	STIGMATELLIN	C,D,E	2BCC	0.7
SIG	STIGMATELLIN	C,D,E	3BCC	0.7
ERD	(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7- DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN- 4-ONE	D,F	2NNL	0.72
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B,C,D,E,F	3BXX	0.73
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A	2O3P	0.73
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B	2UXH	0.73
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A	1GP6	0.73
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A	2C9Z	0.73
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B,C,D,E,F, G,H,I,J,K,L, M,N	2JJ2	0.73
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A	3BPT	0.73
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B,C,D,E,F	3CF8	0.73
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B	2HCK	0.73
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A,B,C,D	1H1I	0.73
QUE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	A	1E8W	0.73
FHI		A,B	1Y1D	0.75