MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02316943

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
NGV	METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE	A,B,C,D	2F98	0.72
NGV	METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE	A	1SJW	0.72
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOD	0.74
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1DOE	0.74
DOB	2,4-DIHYDROXYBENZOIC ACID	A	1PBB	0.74
AGI	5,7-dihydroxy-2-(4-hydroxyphenyl)- 4H-chromen-4-one	A,B,C,D,E,F	3CF9	0.71
3HP	3-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCE	0.71
SAL	2-HYDROXYBENZOIC ACID	A	2I2Z	0.77
SAL	2-HYDROXYBENZOIC ACID	A,B,C	1FIQ	0.77
SAL	2-HYDROXYBENZOIC ACID	A	2I30	0.77
SAL	2-HYDROXYBENZOIC ACID	A,B	1PTH	0.77
SAL	2-HYDROXYBENZOIC ACID	A,B	3DEU	0.77
SAL	2-HYDROXYBENZOIC ACID	A,B,C,D	2E1Q	0.77
SAL	2-HYDROXYBENZOIC ACID	A,B	3HGX	0.77
SAL	2-HYDROXYBENZOIC ACID	A,B	3BPX	0.77
SAL	2-HYDROXYBENZOIC ACID	A	1WYG	0.77
SAL	2-HYDROXYBENZOIC ACID	A	1JGS	0.77
SAL	2-HYDROXYBENZOIC ACID	X	1M6E	0.77
SAL	2-HYDROXYBENZOIC ACID	A	3B9M	0.77
SAL	2-HYDROXYBENZOIC ACID	A,B	1FO4	0.77
SAL	2-HYDROXYBENZOIC ACID	A,B	1Y7I	0.77
SAL	2-HYDROXYBENZOIC ACID	A,B	2FN1	0.77
FHB	3-FLUORO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCF	0.7
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
FBC		A,B	2B9A	0.71
JUG	5-hydroxynaphthalene-1,4-dione	A,B,C,D,E,F	3B7J	0.81
AKV	{3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE	A,B,C,D	2F99	0.72
FLN	2-PHENYL-4H-CHROMEN-4-ONE	A	2G0L	0.73
LJ2	2,6-dibromo-4-[(E)-2-phenylethenyl]phenol	A,B	3CN1	0.75
34D	3,5-DIHYDROXYBENZOATE	A,B	2BX7	0.72
HBA	P-HYDROXYBENZALDEHYDE	A	1K03	0.72
HBA	P-HYDROXYBENZALDEHYDE	A,B	2VQ5	0.72
HBA	P-HYDROXYBENZALDEHYDE	A,B	1EB9	0.72
HBA	P-HYDROXYBENZALDEHYDE	A	2GQ9	0.72
HBA	P-HYDROXYBENZALDEHYDE	A,B	1Z42	0.72
HBA	P-HYDROXYBENZALDEHYDE	A	1OYB	0.72
4FC		A	1YSG	0.71
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
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
FHI		A,B	1Y1D	0.76
2PB	2-[(DIOXIDOPHOSPHINO)OXY]BENZOATE	A	1SDE	0.7
GRE	2,6-DIHYDROXYBENZOIC ACID	A,B,C,D	2DVU	0.75
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A,B	3B56	0.73
DIU	2-HYDROXY-3,5-DIIODO-BENZOIC ACID	A	2BXL	0.73
26C		A,B	2F7I	0.71
FBR	(9aS)-4-bromo-9a-butyl-7-hydroxy- 1,2,9,9a-tetrahydro-3H-fluoren- 3-one	A	2GIU	0.74
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RH4	0.76
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	3CSD	0.76
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHR	0.76
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	1F0Q	0.76
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3C13	0.76
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A,B	2RHC	0.76
EMO	3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE	A	3BQC	0.76
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	H,I	1A2C	0.73
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	A,B,C	1CA7	0.73
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	A,B,C,D	3GGO	0.73
FL8	6,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONE	B,C	1KGJ	0.8
ADL	(1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID	A,B	1N5S	0.78
OAL	(1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID	B	1N5T	0.78
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.82
G50	3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE	A,B	2UXI	0.81
HCC	2',4,4'-TRIHYDROXYCHALCONE	D	1FP1	0.81
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.75
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.75
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
SHA	SALICYLHYDROXAMIC ACID	X	1V0H	0.7
SHA	SALICYLHYDROXAMIC ACID	A	2QPK	0.7
SHA	SALICYLHYDROXAMIC ACID	A	3FNL	0.7
SHA	SALICYLHYDROXAMIC ACID	A	3GCJ	0.7
SHA	SALICYLHYDROXAMIC ACID	A	1CK6	0.7
OMD	2-(3,6-DIHYDROXYPHENYL)ACETIC ACID	A,B	1AJP	0.72
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
3CA		A,B	2B77	0.74
IHB	3-IODO-4-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCI	0.7
2HC	(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID	A,B	1V5Z	0.71
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.77
AC6	P-HYDROXYACETOPHENONE	X	2O48	0.77
DDC	7-HYDROXY-2-PHENYL-CHROMAN-4-ONE	A,B	1FM8	0.7
HMO	4'-HYDROXY-7-METHOXYISOFLAVONE	A	1FP2	0.73
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.7
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.7
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3CMP	0.75
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MD9	0.75
DBH	2,3-DIHYDROXY-BENZOIC ACID	A	1MDB	0.75
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	1L6M	0.75
DBH	2,3-DIHYDROXY-BENZOIC ACID	A,B,C	3BY0	0.75
GEN	GENISTEIN	A	1QKM	0.74
GEN	GENISTEIN	A,B	1X7J	0.74
GEN	GENISTEIN	A,B	2QA8	0.74
GEN	GENISTEIN	A	1X7R	0.74
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5A	0.78
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5C	0.78
FL9		A,B	1THC	0.76
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	0.74
U01	3-[1-(4-BROMO-PHENYL)-2-METHYL- PROPYL]-4-HYDROXY-CHROMEN-2-ONE	A	1UPJ	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
PSN	BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4K	0.76
NAR	NARINGENIN	A,B	2UXU	0.7
NAR	NARINGENIN	A	2BRT	0.7
NAR	NARINGENIN	A	1CGK	0.7
NAR	NARINGENIN	A,B	1EYQ	0.7
OEF	3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACID	A	2J4A	0.74
219	CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE	A	1O4I	0.74
262	2-FORMYLPHENYL DIHYDROGEN PHOSPHATE	A	1O4D	0.72
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.73
FLV	FLAVIOLIN	A	1ZDW	0.74
FLV	FLAVIOLIN	A	1T93	0.74
FLV	FLAVIOLIN	A	2D09	0.74
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
SCL	ACETIC ACID SALICYLOYL-AMINO-ESTER	A	1EBV	0.7
789	3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE	A,B	1ZAF	0.85
MUF	(8alpha,10alpha,13alpha,17beta)- 17-[(4-hydroxyphenyl)carbonyl]androsta- 3,5-diene-3-carboxylic acid	A,B	3BEJ	0.7
SDN	[(3S)-9-hydroxy-1-methyl-10-oxo- 4,10-dihydro-3H-benzo[g]isochromen- 3-yl]acetic acid	A,B	3B6C	0.72
OAC	TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE	C	3GCH	0.71
23A	2,3-DIHYDROXYBENZALDEHYDE	A,B,C,D	2DVX	0.76
QSO	5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one	A,B	2QYO	0.73
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
CIN	4-CARBOXYCINNAMIC ACID	A,B,C,D	1HAB	0.7
CIN	4-CARBOXYCINNAMIC ACID	A,B	1T6J	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1CJ4	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1DOB	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1PXB	0.72
PHB	P-HYDROXYBENZOIC ACID	A,B	1G1B	0.72
PHB	P-HYDROXYBENZOIC ACID	A,B	1YKJ	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1IUV	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1PBE	0.72
PHB	P-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCC	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1PDH	0.72
PHB	P-HYDROXYBENZOIC ACID	B	2BUW	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1CC4	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1CC6	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1IUW	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1FW9	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1G81	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1BGJ	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1IUX	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1CJ3	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1D7L	0.72
PHB	P-HYDROXYBENZOIC ACID	A	2PHH	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1BGN	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1PXA	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1DOC	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1K0I	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1BKW	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1JD3	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1PXC	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1TT8	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1CJ2	0.72
PHB	P-HYDROXYBENZOIC ACID	A,B	1Q4S	0.72
PHB	P-HYDROXYBENZOIC ACID	A	1BF3	0.72
PHB	P-HYDROXYBENZOIC ACID	B	2BUR	0.72
299	2,6-DIFORMYL-4-METHYLPHENYL DIHYDROGEN PHOSPHATE	A	1O4E	0.7
LJ3	3,5-dibromobiphenyl-4-ol	A,B	3CN2	0.78
OHP	(2-HYDROXYPHENYL)ACETIC ACID	A	2INZ	0.74