MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02521219

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
3CA		A,B	2B77	0.86
A18	5-(2-CHLOROBENZYL)-2-FUROIC ACID	A	2Q96	0.71
FLV	FLAVIOLIN	A	1ZDW	0.79
FLV	FLAVIOLIN	A	1T93	0.79
FLV	FLAVIOLIN	A	2D09	0.79
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.72
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.72
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5A	0.76
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5C	0.76
CHB	3-CHLORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCH	0.79
FHI		A,B	1Y1D	0.79
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
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
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
IHB	3-IODO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCI	0.73
BP6	2',6'-DICHLORO-BIPHENYL-2,6-DIOL	A	1LKD	0.72
FHB	3-FLUORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCF	0.77
4FC		A	1YSG	0.71
BP3	2'-CHLORO-BIPHENYL-2,3-DIOL	A	1LGT	0.73
NAR	NARINGENIN	A,B	2UXU	0.76
NAR	NARINGENIN	A	2BRT	0.76
NAR	NARINGENIN	A	1CGK	0.76
NAR	NARINGENIN	A,B	1EYQ	0.76
M1S	(5E)-14-CHLORO-15,17-DIHYDROXY- 4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE- 1,12(3H,13H)-DIONE	A	2IWX	0.79
DHB	3,4-DIHYDROXYBENZOIC ACID	B	2BV0	0.7
DHB	3,4-DIHYDROXYBENZOIC ACID	A,B,D,F,H,J,L	1YKP	0.7
DHB	3,4-DIHYDROXYBENZOIC ACID	A	1N8Q	0.7
DHB	3,4-DIHYDROXYBENZOIC ACID	A,B	2BSL	0.7
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D,F,H,J,L	1YKL	0.7
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D	1B4U	0.7
DHB	3,4-DIHYDROXYBENZOIC ACID	A	3DX5	0.7
DHB	3,4-DIHYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCA	0.7
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D,F,H,J,L	1YKN	0.7
DHB	3,4-DIHYDROXYBENZOIC ACID	B	1EOB	0.7
DHB	3,4-DIHYDROXYBENZOIC ACID	A	1PHH	0.7
DHB	3,4-DIHYDROXYBENZOIC ACID	B	2BUV	0.7
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.81
MYU	3,5,6,7-TETRAHYDROXY-2-(3,4-DIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A	2O64	0.71
NGV	METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE	A,B,C,D	2F98	0.7
NGV	METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE	A	1SJW	0.7
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	0.79
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
GRE	2,6-DIHYDROXYBENZOIC ACID	A,B,C,D	2DVU	0.77
SN1	2,4-DIHYDROXY-TRANS CINNAMIC ACID	1	1K2I	0.71
OAC	TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE	C	3GCH	0.72
34D	3,5-DIHYDROXYBENZOATE	A,B	2BX7	0.73
G50	3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE	A,B	2UXI	0.87
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3CMP	0.71
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MD9	0.71
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MDB	0.71
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	1L6M	0.71
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3BY0	0.71
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
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.87
SDN	[(3S)-9-hydroxy-1-methyl-10-oxo- 4,10-dihydro-3H-benzo[g]isochromen- 3-yl]acetic acid	A,B	3B6C	0.71
NP5	(5E)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE	A	2IWU	0.79
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5U	0.73
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	3E6B	0.73
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B,C,D	3E5X	0.73
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	A,B	2H6B	0.73
3C4	(3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID	C	3E6C	0.73
L41	{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid	A,B	3D5F	0.72
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
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
ORE	4-(2,7-DIFLUORO-6-HYDROXY-3-OXO- 3H-XANTHEN-9-YL)ISOPHTHALIC ACID	H,I	2A9N	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
HBA	P-HYDROXYBENZALDEHYDE	A	1K03	0.71
HBA	P-HYDROXYBENZALDEHYDE	A,B	2VQ5	0.71
HBA	P-HYDROXYBENZALDEHYDE	A,B	1EB9	0.71
HBA	P-HYDROXYBENZALDEHYDE	A	2GQ9	0.71
HBA	P-HYDROXYBENZALDEHYDE	A,B	1Z42	0.71
HBA	P-HYDROXYBENZALDEHYDE	A	1OYB	0.71
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A,B	3B56	0.71
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A	2BXL	0.71
A15	3'-3"-DICHLOROPHENOL-1,8-3H-BENZO[DE]ISOCHROMEN- 1-ONE	A	1TSL	0.71
ERD	(2S)-2-(3,4-DIHYDROXYPHENYL)-5,7- DIHYDROXY-2,3-DIHYDRO-4H-CHROMEN- 4-ONE	D,F	2NNL	0.73
FBC		A,B	2B9A	0.7
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOD	0.8
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOE	0.8
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1PBB	0.8
RDC	RADICICOL	A,B	2Q8I	0.76
RDC	RADICICOL	A,B	1U0Z	0.76
RDC	RADICICOL	A	1BGQ	0.76
RDC	RADICICOL	B,D,F,H	2ZBK	0.76
RDC	RADICICOL	A	2HKJ	0.76
RDC	RADICICOL	A,B,C	3CGY	0.76
RDC	RADICICOL	A,B	2WER	0.76
SAK	(2S)-5-hydroxy-2-(4-hydroxyphenyl)- 7-methoxy-2,3-dihydro-4H-chromen- 4-one	A,B,C,D,E,F	3D04	0.75
QSO	5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one	A,B	2QYO	0.78
3HP	3-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCE	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	0.71
AFI	2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]- 3,4-DIHYDROXY-1(2H)-NAPHTHALENONE	A,B	1UUM	0.75
789	3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE	A,B	1ZAF	0.72
2HI	(2S,3R)-2,7-DIHYDROXY-3-(4-HYDROXYPHENYL)- 2,3-DIHYDRO-4H-CHROMEN-4-ONE	A	1ZG3	0.74
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
PHB	P-HYDROXYBENZOIC ACID	A	1CJ4	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1DOB	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1PXB	0.74
PHB	P-HYDROXYBENZOIC ACID	A,B	1G1B	0.74
PHB	P-HYDROXYBENZOIC ACID	A,B	1YKJ	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1IUV	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1PBE	0.74
PHB	P-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCC	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1PDH	0.74
PHB	P-HYDROXYBENZOIC ACID	B	2BUW	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1CC4	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1CC6	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1IUW	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1FW9	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1G81	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1BGJ	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1IUX	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1CJ3	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1D7L	0.74
PHB	P-HYDROXYBENZOIC ACID	A	2PHH	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1BGN	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1PXA	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1DOC	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1K0I	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1BKW	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1JD3	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1PXC	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1TT8	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1CJ2	0.74
PHB	P-HYDROXYBENZOIC ACID	A,B	1Q4S	0.74
PHB	P-HYDROXYBENZOIC ACID	A	1BF3	0.74
PHB	P-HYDROXYBENZOIC ACID	B	2BUR	0.74
DDC	7-HYDROXY-2-PHENYL-CHROMAN-4-ONE	A,B	1FM8	0.77
MYF	5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)- 4H-CHROMEN-4-ONE	A	2O65	0.73
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.76
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.76
P2N	(5Z)-13-CHLORO-14,16-DIHYDROXY- 3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE- 1,11(12H)-DIONE	A	2CGF	0.79
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.73
OMD	2-(3,6-DIHYDROXYPHENYL)ACETIC ACID	A,B	1AJP	0.71
26C		A,B	2F7I	0.7
FCD	5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACID	A	1XNZ	0.71
HMO	4'-HYDROXY-7-METHOXYISOFLAVONE	A	1FP2	0.78
NP4	(5Z)-12-CHLORO-13,15-DIHYDROXY- 4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE- 1,10(3H,11H)-DIONE	A	2IWS	0.79
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
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
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	2BXE	0.82
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	3D2T	0.82
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
JUG	5-hydroxynaphthalene-1,4-dione	A,B,C,D,E,F	3B7J	0.74
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3C3U	0.76
C2U	3,5-dichloro-2-hydroxybenzoic acid	A	3CV7	0.76