MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02671292

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
VNL	4-HYDROXY-3-METHOXYBENZOATE	A,B,C,D	2AHC	0.73
VNL	4-HYDROXY-3-METHOXYBENZOATE	A	1XLR	0.73
OST	METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE	C,D,E	1SQQ	0.7
V55	4-hydroxy-3-methoxybenzaldehyde	B,D,E,F	2VSS	0.71
V55	4-hydroxy-3-methoxybenzaldehyde	A,B,D,E,F	2VSU	0.71
MPP	3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID	A,B	2AY3	0.74
178	4-(4-HYDROXY-3-ISOPROPYLPHENYLTHIO)- 2-ISOPROPYLPHENOL	A,B	1TVE	0.73
MAX	MATAIRESINOL	A	2BGM	0.71
SAL	2-HYDROXYBENZOIC ACID	A	2I2Z	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B,C	1FIQ	0.7
SAL	2-HYDROXYBENZOIC ACID	A	2I30	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B	1PTH	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B	3DEU	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B,C,D	2E1Q	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B	3HGX	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B	3BPX	0.7
SAL	2-HYDROXYBENZOIC ACID	A	1WYG	0.7
SAL	2-HYDROXYBENZOIC ACID	A	1JGS	0.7
SAL	2-HYDROXYBENZOIC ACID	X	1M6E	0.7
SAL	2-HYDROXYBENZOIC ACID	A	3B9M	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B	1FO4	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B	1Y7I	0.7
SAL	2-HYDROXYBENZOIC ACID	A,B	2FN1	0.7
FLN	2-PHENYL-4H-CHROMEN-4-ONE	A	2G0L	0.73
U03	4-HYDROXY-7-METHOXY-3-(1-PHENYL- PROPYL)-CHROMEN-2-ONE	A	3UPJ	0.72
AZ2	(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID	A,B	1I7I	0.73
AZ2	(2S)-2-ETHOXY-3-[4-(2-{4-[(METHYLSULFONYL)OXY]PHENYL}ETHOXY)PHENYL]PROPANOIC ACID	A	1I7G	0.73
PHB	P-HYDROXYBENZOIC ACID	A	1CJ4	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1DOB	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1PXB	0.71
PHB	P-HYDROXYBENZOIC ACID	A,B	1G1B	0.71
PHB	P-HYDROXYBENZOIC ACID	A,B	1YKJ	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1IUV	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1PBE	0.71
PHB	P-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCC	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1PDH	0.71
PHB	P-HYDROXYBENZOIC ACID	B	2BUW	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1CC4	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1CC6	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1IUW	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1FW9	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1G81	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1BGJ	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1IUX	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1CJ3	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1D7L	0.71
PHB	P-HYDROXYBENZOIC ACID	A	2PHH	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1BGN	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1PXA	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1DOC	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1K0I	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1BKW	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1JD3	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1PXC	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1TT8	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1CJ2	0.71
PHB	P-HYDROXYBENZOIC ACID	A,B	1Q4S	0.71
PHB	P-HYDROXYBENZOIC ACID	A	1BF3	0.71
PHB	P-HYDROXYBENZOIC ACID	B	2BUR	0.71
ISF		A,B	1PGE	0.7
LRG	(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid	A	3B3K	0.71
LRG	(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid	A	3D6D	0.71
509	4-BROMO-3-(CARBOXYMETHOXY)-5-PHENYLTHIOPHENE- 2-CARBOXYLIC ACID	A	2H4K	0.72
B21	5-(2-METHOXYPHENYL)-2-FUROIC ACID	A	2Q93	0.7
694	4-BROMO-3-(CARBOXYMETHOXY)-5-(4- HYDROXYPHENYL)THIOPHENE-2-CARBOXYLIC ACID	A	2H4G	0.72
DBF	DIBENZOFURAN-4,6-DICARBOXYLIC ACID	B	1DVU	0.71
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3GCL	0.76
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2QQT	0.76
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1TGM	0.76
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2G5J	0.76
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1OXR	0.76
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3HWY	0.76
FC3	5-[2-(TRIFLUOROMETHYL)PHENYL]-2- FUROIC ACID	A	2EVC	0.7
VXX	VANILLATE	A,B	1WB6	0.73
VII	2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID	A,B	2GFK	0.72
3TN	(2E)-3-[4-HYDROXY-3-(3-METHOXY- 5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-YL)PHENYL]ACRYLIC ACID	A	2P1T	0.72
TOM	4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID	A	2IMF	0.74
RWF	R-WARFARIN	A,B	2BXD	0.72
GRR	(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid	A	3CDS	0.73
OHP	(2-HYDROXYPHENYL)ACETIC ACID	A	2INZ	0.7
8MR	(3R)-4,4-DIFLUORO-3-[(4-METHOXYPHENYL)SULFONYL]BUTANOIC ACID	A,B	2OW2	0.75
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	2BXE	0.71
1FL	5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID	A,B	3D2T	0.71
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5A	0.7
BIK	3,7-DIHYDROXY-2-NAPHTHOIC ACID	A	1U5C	0.7
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
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.72
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.71
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.71
FDS	FLUORESCIN	H	4FAB	0.72
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	L	1FLR	0.73
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	A,B	1N0S	0.73
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	C,L	1T66	0.73
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	A	1X9Q	0.73
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	A,D	2NMV	0.73
QSO	5,7-dihydroxy-3-(4-methoxyphenyl)- 4H-chromen-4-one	A,B	2QYO	0.7
SYR	SYRINGATE	A,B	1WB5	0.7
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	B,C,D	2VK0	0.76
MPB	4-HYDROXY-BENZOIC ACID METHYL ESTER	A,B,D	3MTH	0.76
EMT	2-(ETHYLMERCURI-THIO)-BENZOIC ACID	A,B	1KDG	0.74
EMT	2-(ETHYLMERCURI-THIO)-BENZOIC ACID	A,B,C,D	1O9L	0.74
4FC		A	1YSG	0.7
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.8
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.8
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.8
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.8
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.8
SWF	S-WARFARIN	A,B	1OG5	0.72
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B	2TPL	0.71
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B,C,D	3GGP	0.71
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PIT	0.74
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ1	0.74
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PIU	0.74
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PKL	0.74
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A,B	3D57	0.74
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ2	0.74
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2QPY	0.74
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ0	0.74
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NUO	0.74
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A,B	2PIN	0.74
AC6	P-HYDROXYACETOPHENONE	A	2GQ8	0.71
AC6	P-HYDROXYACETOPHENONE	X	2O48	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	0.72
HMO	4'-HYDROXY-7-METHOXYISOFLAVONE	A	1FP2	0.7
NPS	(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid	A	2VDB	0.77
T4A		C,D	1KGI	0.73
T4A		A,B	1Z7J	0.73
WRR	4-HYDROXY-3-[(1S,3R)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE	A	1H9Z	0.71
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.78
GEN	GENISTEIN	A	1QKM	0.7
GEN	GENISTEIN	A,B	1X7J	0.7
GEN	GENISTEIN	A,B	2QA8	0.7
GEN	GENISTEIN	A	1X7R	0.7
DBE	bis(4-hydroxyphenyl)methanone	A	2VKU	0.73
MGI	methyl 4-(2,3-dihydroxy-5-methylphenoxy)- 2-hydroxy-6-methylbenzoate	A	2ZA0	0.7
886	N-({4'-[(4-isobutyrylphenoxy)methyl]biphenyl- 4-yl}sulfonyl)-D-valine	A,B,C,D	2RJP	0.7
WRS	4-HYDROXY-3-[(1S,3S)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE	A	1HA2	0.71
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.71