MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01593165

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
FL8	6,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONE	B,C	1KGJ	0.76
23A	2,3-DIHYDROXYBENZALDEHYDE	A,B,C,D	2DVX	0.74
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
BPY	BIPHENYL-2,3-DIOL	A	1KMY	0.7
BPY	BIPHENYL-2,3-DIOL	B	1KW8	0.7
BPY	BIPHENYL-2,3-DIOL	A	2EI3	0.7
BPY	BIPHENYL-2,3-DIOL	A	1EIR	0.7
BPY	BIPHENYL-2,3-DIOL	B	1KW6	0.7
BPY	BIPHENYL-2,3-DIOL	B	1KWC	0.7
BPY	BIPHENYL-2,3-DIOL	B	1KW9	0.7
FBC		A,B	2B9A	0.76
OMD	2-(3,6-DIHYDROXYPHENYL)ACETIC ACID	A,B	1AJP	0.73
TOH	(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID	A	2IME	0.72
TOH	(3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID	A	2IMD	0.72
U01	3-[1-(4-BROMO-PHENYL)-2-METHYL- PROPYL]-4-HYDROXY-CHROMEN-2-ONE	A	1UPJ	0.7
789	3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE	A,B	1ZAF	0.88
FL9		A,B	1THC	0.7
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
JUG	5-hydroxynaphthalene-1,4-dione	A,B,C,D,E,F	3B7J	0.79
FLV	FLAVIOLIN	A	1ZDW	0.71
FLV	FLAVIOLIN	A	1T93	0.71
FLV	FLAVIOLIN	A	2D09	0.71
FHB	3-FLUORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCF	0.77
4FC		A	1YSG	0.76
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B	2TPL	0.74
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B,C,D	3GGP	0.74
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.83
26C		A,B	2F7I	0.76
SAL	2-HYDROXYBENZOIC ACID	A	2I2Z	0.74
SAL	2-HYDROXYBENZOIC ACID	A,B,C	1FIQ	0.74
SAL	2-HYDROXYBENZOIC ACID	A	2I30	0.74
SAL	2-HYDROXYBENZOIC ACID	A,B	1PTH	0.74
SAL	2-HYDROXYBENZOIC ACID	A,B	3DEU	0.74
SAL	2-HYDROXYBENZOIC ACID	A,B,C,D	2E1Q	0.74
SAL	2-HYDROXYBENZOIC ACID	A,B	3HGX	0.74
SAL	2-HYDROXYBENZOIC ACID	A,B	3BPX	0.74
SAL	2-HYDROXYBENZOIC ACID	A	1WYG	0.74
SAL	2-HYDROXYBENZOIC ACID	A	1JGS	0.74
SAL	2-HYDROXYBENZOIC ACID	X	1M6E	0.74
SAL	2-HYDROXYBENZOIC ACID	A	3B9M	0.74
SAL	2-HYDROXYBENZOIC ACID	A,B	1FO4	0.74
SAL	2-HYDROXYBENZOIC ACID	A,B	1Y7I	0.74
SAL	2-HYDROXYBENZOIC ACID	A,B	2FN1	0.74
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.71
BP7	1,1'-BIPHENYL-3,4-DIOL	A	2EI0	0.7
EQI	EQUILIN	A,B	1EQU	0.7
OAC	TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE	C	3GCH	0.7
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	H,I	1A2C	0.74
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	A,B,C	1CA7	0.74
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	A,B,C,D	3GGO	0.74
DHB	3,4-DIHYDROXYBENZOIC ACID	B	2BV0	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	A,B,D,F,H,J,L	1YKP	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	A	1N8Q	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	A,B	2BSL	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D,F,H,J,L	1YKL	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D	1B4U	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	A	3DX5	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCA	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	B,D,F,H,J,L	1YKN	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	B	1EOB	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	A	1PHH	0.73
DHB	3,4-DIHYDROXYBENZOIC ACID	B	2BUV	0.73
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.71
TN1	5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL	A	1YSG	0.7
4HP	4-HYDROXYPHENYLACETATE	A,B,C,D	2JBT	0.75
4HP	4-HYDROXYPHENYLACETATE	A	2YYJ	0.75
4HP	4-HYDROXYPHENYLACETATE	A	2YYM	0.75
4HP	4-HYDROXYPHENYLACETATE	B	1AI6	0.75
4HP	4-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCG	0.75
HBA	P-HYDROXYBENZALDEHYDE	A	1K03	0.74
HBA	P-HYDROXYBENZALDEHYDE	A,B	2VQ5	0.74
HBA	P-HYDROXYBENZALDEHYDE	A,B	1EB9	0.74
HBA	P-HYDROXYBENZALDEHYDE	A	2GQ9	0.74
HBA	P-HYDROXYBENZALDEHYDE	A,B	1Z42	0.74
HBA	P-HYDROXYBENZALDEHYDE	A	1OYB	0.74
34D	3,5-DIHYDROXYBENZOATE	A,B	2BX7	0.74
GRE	2,6-DIHYDROXYBENZOIC ACID	A,B,C,D	2DVU	0.7
CIN	4-CARBOXYCINNAMIC ACID	A,B,C,D	1HAB	0.71
CIN	4-CARBOXYCINNAMIC ACID	A,B	1T6J	0.71
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.76
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.79
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.79
G50	3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE	A,B	2UXI	0.75
FHC	2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE	A	2OPA	0.72
FHC	2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE	A,B,C	1MFI	0.72
FHC	2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE	A,B	1GYY	0.72
HXS	4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol	A,B	3CV6	0.7
DES	DIETHYLSTILBESTROL	A,B,C,D	1S9P	0.71
DES	DIETHYLSTILBESTROL	A,B	3ERD	0.71
DES	DIETHYLSTILBESTROL	A,B	1TT6	0.71
DES	DIETHYLSTILBESTROL	A,B,C,D	1TZ8	0.71
HC4		A	1TS6	0.71
HC4		A	3PHY	0.71
HC4		A	3PYP	0.71
HC4		A	1T1C	0.71
HC4		A	1OT6	0.71
HC4		A	1TS0	0.71
HC4		A	1T1A	0.71
HC4		A	2PYP	0.71
HC4		A	2ZOI	0.71
HC4		A	1OTI	0.71
HC4		A	1XFQ	0.71
HC4		A	2D01	0.71
HC4		A,B,C,D,E,F, G,H	2O7B	0.71
HC4		A	2ZOH	0.71
HC4		A	1GSW	0.71
HC4		A	2QJ7	0.71
HC4		A	1F9I	0.71
HC4		X	1UWP	0.71
HC4		A	2PHY	0.71
HC4		A	1T1B	0.71
HC4		A	1F98	0.71
HC4		A	1T19	0.71
HC4		X	1UWN	0.71
HC4		A,B,C,D,E,F, G,H	2O7F	0.71
HC4		A	1UGU	0.71
HC4		A	1TS8	0.71
HC4		A,B	1OTD	0.71
HC4		A	1OTE	0.71
HC4		A	1GSX	0.71
HC4		A	1TS7	0.71
HC4		A	2PYR	0.71
HC4		A	1S4S	0.71
HC4		A	1GSV	0.71
HC4		A	2I9V	0.71
HC4		A	2QWS	0.71
HC4		A	1XFN	0.71
HC4		A	1S4R	0.71
HC4		A	1T18	0.71
HC4		A	1OTA	0.71
HC4		A	1D7E	0.71
HC4		A	1S1Z	0.71
HC4		A,B,C	1MZU	0.71
HC4		A,B	1ODV	0.71
HC4		A,B	2J3J	0.71
HC4		A	2QJ5	0.71
HC4		A	1OTB	0.71
HC4		A	2D02	0.71
HC4		A	1OT9	0.71
HC4		A	1NWZ	0.71
HC4		A	1S1Y	0.71
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
FBR	(9aS)-4-bromo-9a-butyl-7-hydroxy- 1,2,9,9a-tetrahydro-3H-fluoren- 3-one	A	2GIU	0.76
PSN	BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4K	0.71
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
2HC	(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID	A,B	1V5Z	0.72
LJ3	3,5-dibromobiphenyl-4-ol	A,B	3CN2	0.77
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2E2R	0.7
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2P7G	0.7
OHP	(2-HYDROXYPHENYL)ACETIC ACID	A	2INZ	0.75
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.73
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.73
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.73
R71	[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)- 2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE	A	1W6J	0.71
R71	[4-({6-[ALLYL(METHYL)AMINO]HEXYL}OXY)- 2-FLUOROPHENYL](4-BROMOPHENYL)METHANONE	A,B,C	1GSZ	0.71
3HP	3-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCE	0.75
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.79
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.79
LJ2	2,6-dibromo-4-[(E)-2-phenylethenyl]phenol	A,B	3CN1	0.76
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3CMP	0.72
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MD9	0.72
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MDB	0.72
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	1L6M	0.72
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3BY0	0.72
SGI	3-(4-hydroxyphenyl)propanamide	A,B	2R9K	0.7
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5A	0.74
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5C	0.74
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RH4	0.72
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	3CSD	0.72
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHR	0.72
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	1F0Q	0.72
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3C13	0.72
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHC	0.72
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3BQC	0.72
1NP	1-NAPHTHOL	X	2ZVQ	0.7
OEF	3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACID	A	2J4A	0.72
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	M,N,O,P,Q,R	3PCN	0.71
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	B	1AI4	0.71
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	A,B,C,D	1Q0C	0.71
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	A,B	1F1V	0.71
BFS	N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE	A	1STD	0.73
BFS	N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE	A,B,C	4STD	0.73
FHI		A,B	1Y1D	0.75