MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02313475

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
MAX	MATAIRESINOL	A	2BGM	0.79
FL8	6,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONE	B,C	1KGJ	0.71
EUG	2-METHOXY-4-VINYL-PHENOL	A	2QU9	0.74
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1QLU	0.74
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1J	0.74
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	2VAO	0.74
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1K	0.74
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1DZN	0.74
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1L	0.74
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1M	0.74
EMF	ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate	A,B	2QZZ	0.82
EMF	ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate	A,B	2R2G	0.82
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	H,I	1A2C	0.7
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	A,B,C	1CA7	0.7
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	A,B,C,D	3GGO	0.7
AZ2	(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID	A,B	1I7I	0.72
AZ2	(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID	A	1I7G	0.72
T4A		C,D	1KGI	0.71
T4A		A,B	1Z7J	0.71
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.73
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.73
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.73
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.73
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.73
TRT	FRAGMENT OF TRITON X-100	A,E	2I0U	0.7
TRT	FRAGMENT OF TRITON X-100	A,B	1OIZ	0.7
OEF	3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACID	A	2J4A	0.82
CIO	CILOMILAST	A,B	1XOM	0.77
CIO	CILOMILAST	A,B	1XLX	0.77
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
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PIT	0.71
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ1	0.71
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PIU	0.71
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PKL	0.71
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A,B	3D57	0.71
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ2	0.71
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2QPY	0.71
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ0	0.71
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NUO	0.71
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A,B	2PIN	0.71
BYS	2-BENZO[1,3]DIOXOL-5-YLMETHYL-3- BENZYL-SUCCINIC ACID	A,B	1JJE	0.78
U01	3-[1-(4-BROMO-PHENYL)-2-METHYL- PROPYL]-4-HYDROXY-CHROMEN-2-ONE	A	1UPJ	0.75
TOM	4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID	A	2IMF	0.73
G24	[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5- DIMETHYLPHENOXY]ACETIC ACID	A	1Q4X	0.7
TON	2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL	A,B	1SEZ	0.7
SXX	SINAPINATE	A,B	1WB4	0.73
MGI	methyl 4-(2,3-dihydroxy-5-methylphenoxy)- 2-hydroxy-6-methylbenzoate	A	2ZA0	0.71
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,C,E	1KYZ	0.77
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1JT2	0.77
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	6ATJ	0.77
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B	1GKL	0.77
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1GWT	0.77
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B,C	2BJH	0.77
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1GW2	0.77
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	3CBG	0.77
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	2BNJ	0.77
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B	1UWC	0.77
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	7ATJ	0.77
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.74
GRR	(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid	A	3CDS	0.75
4HP	4-HYDROXYPHENYLACETATE	A,B,C,D	2JBT	0.71
4HP	4-HYDROXYPHENYLACETATE	A	2YYJ	0.71
4HP	4-HYDROXYPHENYLACETATE	A	2YYM	0.71
4HP	4-HYDROXYPHENYLACETATE	B	1AI6	0.71
4HP	4-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCG	0.71
VXX	VANILLATE	A,B	1WB6	0.76
4FE	(2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid	A	3CBG	0.77
322	[(5R)-5-(2,3-dibromo-5-ethoxy-4- hydroxybenzyl)-4-oxo-2-thioxo-1,3- thiazolidin-3-yl]acetic acid	A,B	3D1G	0.71
NPS	(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid	A	2VDB	0.75
G12	3,8-DIBROMO-7-HYDROXY-4-METHYL- 2H-CHROMEN-2-ONE	A	2QC6	0.71
LRG	(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid	A	3B3K	0.74
LRG	(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid	A	3D6D	0.74
DBA	(2,6-DIMETHYL-PHENOXY)-ACETIC ACID	A,B	1IDB	0.7
V55	4-hydroxy-3-methoxybenzaldehyde	B,D,E,F	2VSS	0.73
V55	4-hydroxy-3-methoxybenzaldehyde	A,B,D,E,F	2VSU	0.73
DBY	3,5 DIBROMOTYROSINE	C,D	1EBA	0.7
8PS	5-OCTYL-2-PHENOXYPHENOL	A,B,C,D,E,F	2B37	0.73
34C	(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID	A,B	1HT8	0.7
SYR	SYRINGATE	A,B	1WB5	0.74
VNL	4-HYDROXY-3-METHOXYBENZOATE	A,B,C,D	2AHC	0.76
VNL	4-HYDROXY-3-METHOXYBENZOATE	A	1XLR	0.76
5PP	5-PENTYL-2-PHENOXYPHENOL	A,B,C,D,E,F	2B36	0.73
BDS	2,3-BIS-BENZO[1,3]DIOXOL-5-YLMETHYL- SUCCINIC ACID	A,B	1JJT	0.76
MPP	3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID	A,B	2AY3	0.88
300	2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE	A	1O41	0.7