MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00011855

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
RWF	R-WARFARIN	A,B	2BXD	0.75
VII	2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACID	A,B	2GFK	0.73
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
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PIT	0.8
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ1	0.8
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PIU	0.8
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PKL	0.8
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A,B	3D57	0.8
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ2	0.8
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2QPY	0.8
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ0	0.8
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NUO	0.8
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A,B	2PIN	0.8
T4A		C,D	1KGI	0.79
T4A		A,B	1Z7J	0.79
3HB	3-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCB	0.72
3HB	3-HYDROXYBENZOIC ACID	A	2DKH	0.72
4HP	4-HYDROXYPHENYLACETATE	A,B,C,D	2JBT	0.77
4HP	4-HYDROXYPHENYLACETATE	A	2YYJ	0.77
4HP	4-HYDROXYPHENYLACETATE	A	2YYM	0.77
4HP	4-HYDROXYPHENYLACETATE	B	1AI6	0.77
4HP	4-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCG	0.77
COU	COUMARIN	A	3CRB	0.83
COU	COUMARIN	A	2PMJ	0.83
COU	COUMARIN	A	2H90	0.83
COU	COUMARIN	A,B,C,D	1Z10	0.83
COU	COUMARIN	A	2PWB	0.83
DFL	2-(4-HYDROXY-PHENYL)-CHROMAN-4- ONE	A,B	1JEP	0.71
4BR	2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE	A	1PE7	0.72
OHP	(2-HYDROXYPHENYL)ACETIC ACID	A	2INZ	0.79
4HC	4-HYDROXY-2H-CHROMEN-2-ONE	A,B	1V5Y	0.79
U01	3-[1-(4-BROMO-PHENYL)-2-METHYL- PROPYL]-4-HYDROXY-CHROMEN-2-ONE	A	1UPJ	0.72
BYS	2-BENZO[1,3]DIOXOL-5-YLMETHYL-3- BENZYL-SUCCINIC ACID	A,B	1JJE	0.74
OAC	TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE	C	3GCH	0.73
OMD	2-(3,6-DIHYDROXYPHENYL)ACETIC ACID	A,B	1AJP	0.74
2PB	2-[(DIOXIDOPHOSPHINO)OXY]BENZOATE	A	1SDE	0.7
DBA	(2,6-DIMETHYL-PHENOXY)-ACETIC ACID	A,B	1IDB	0.76
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.8
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
HOM	7-HYDROXY-4-METHYL-3-(2-HYDROXY- ETHYL)COUMARIN	C,D	1CJF	0.74
WRS	4-HYDROXY-3-[(1S,3S)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE	A	1HA2	0.72
FC3	5-[2-(TRIFLUOROMETHYL)PHENYL]-2- FUROIC ACID	A	2EVC	0.72
C17	7-[(3-CHLOROBENZYL)OXY]-2-OXO-2H- CHROMENE-4-CARBALDEHYDE	A,B	2V60	0.72
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A	2Z9C	0.74
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A,B	1OOQ	0.74
DTC	BISHYDROXY[2H-1-BENZOPYRAN-2-ONE,1,2- BENZOPYRONE]	A,B,C,D,E,F, G,H	2F1O	0.74
BDS	2,3-BIS-BENZO[1,3]DIOXOL-5-YLMETHYL- SUCCINIC ACID	A,B	1JJT	0.72
U03	4-HYDROXY-7-METHOXY-3-(1-PHENYL- PROPYL)-CHROMEN-2-ONE	A	3UPJ	0.73
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	H,I	1A2C	0.75
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	A,B,C	1CA7	0.75
ENO	3-(4-HYDROXY-PHENYL)PYRUVIC ACID	A,B,C,D	3GGO	0.75
BR3	(6-METHYL-3,4-DIHYDRO-2H-CHROMEN- 2-YL)METHYLPHOSPHINATE	A	1PE5	0.7
B21	5-(2-METHOXYPHENYL)-2-FUROIC ACID	A	2Q93	0.72
ZHZ	2-(4-METHOXYPHENYL)ACETAMIDE	D,H	2HKR	0.75
WRR	4-HYDROXY-3-[(1S,3R)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE	A	1H9Z	0.72
ZZ1	4-METHYL-2H-CHROMEN-2-ONE	A	2CIP	0.83
MPP	3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID	A,B	2AY3	0.78
BZF	BENZOFURAN	A	182L	0.83
TON	2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL	A,B	1SEZ	0.7
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3GCL	0.81
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2QQT	0.81
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1TGM	0.81
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2G5J	0.81
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1OXR	0.81
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3HWY	0.81
2HC	(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID	A,B	1V5Z	0.71
FLN	2-PHENYL-4H-CHROMEN-4-ONE	A	2G0L	0.78
TOM	4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID	A	2IMF	0.76
A18	5-(2-CHLOROBENZYL)-2-FUROIC ACID	A	2Q96	0.7
2C2	(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID	A	2IME	0.75
2C2	(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID	A	2IMD	0.75
DBF	DIBENZOFURAN-4,6-DICARBOXYLIC ACID	B	1DVU	0.74
NPS	(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid	A	2VDB	0.74
HXP	3,6-DIHYDROXY-XANTHENE-9-PROPIONIC ACID	A	1XAN	0.74
YRG	(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid	A	3CDP	0.74
IKR	methyl (2E)-{2-[(4-iodo-2,5-dimethylphenoxy)methyl]phenyl}(methoxyimino)ethanoate	A,C,D,E,N,P, Q,R	3H1K	0.71
SAL	2-HYDROXYBENZOIC ACID	A	2I2Z	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B,C	1FIQ	0.71
SAL	2-HYDROXYBENZOIC ACID	A	2I30	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B	1PTH	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B	3DEU	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B,C,D	2E1Q	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B	3HGX	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B	3BPX	0.71
SAL	2-HYDROXYBENZOIC ACID	A	1WYG	0.71
SAL	2-HYDROXYBENZOIC ACID	A	1JGS	0.71
SAL	2-HYDROXYBENZOIC ACID	X	1M6E	0.71
SAL	2-HYDROXYBENZOIC ACID	A	3B9M	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B	1FO4	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B	1Y7I	0.71
SAL	2-HYDROXYBENZOIC ACID	A,B	2FN1	0.71
YZ9	7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTER	A,B,C	1GCZ	0.7
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
TRT	FRAGMENT OF TRITON X-100	A,E	2I0U	0.71
TRT	FRAGMENT OF TRITON X-100	A,B	1OIZ	0.71
HHH	(2S)-hydroxy(4-hydroxyphenyl)ethanoic acid	A,B	2R5V	0.7
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.7
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B	2TPL	0.76
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B,C,D	3GGP	0.76
PHB	P-HYDROXYBENZOIC ACID	A	1CJ4	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1DOB	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1PXB	0.7
PHB	P-HYDROXYBENZOIC ACID	A,B	1G1B	0.7
PHB	P-HYDROXYBENZOIC ACID	A,B	1YKJ	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1IUV	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1PBE	0.7
PHB	P-HYDROXYBENZOIC ACID	M,N,O,P,Q,R	3PCC	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1PDH	0.7
PHB	P-HYDROXYBENZOIC ACID	B	2BUW	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1CC4	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1CC6	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1IUW	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1FW9	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1G81	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1BGJ	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1IUX	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1CJ3	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1D7L	0.7
PHB	P-HYDROXYBENZOIC ACID	A	2PHH	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1BGN	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1PXA	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1DOC	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1K0I	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1BKW	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1JD3	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1PXC	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1TT8	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1CJ2	0.7
PHB	P-HYDROXYBENZOIC ACID	A,B	1Q4S	0.7
PHB	P-HYDROXYBENZOIC ACID	A	1BF3	0.7
PHB	P-HYDROXYBENZOIC ACID	B	2BUR	0.7
OEF	3,5-DIBROMO-4-(3-ISOPROPYL-PHENOXY)BENZOIC ACID	A	2J4A	0.7
SWF	S-WARFARIN	A,B	1OG5	0.75
PFI	(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO- 4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY- 5,6-DIHYDRO-2H-PYRAN-2-ONE	A	2HAI	0.71
CA2	(1S,3R,4R,5S)-1,3,4-TRIHYDROXY- 5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID	A,B,C,D,E,F, G,H,I,J,K,L	2BT4	0.72
VNL	4-HYDROXY-3-METHOXYBENZOATE	A,B,C,D	2AHC	0.71
VNL	4-HYDROXY-3-METHOXYBENZOATE	A	1XLR	0.71
EMF	ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate	A,B	2QZZ	0.72
EMF	ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate	A,B	2R2G	0.72
NOA	NAPHTHYLOXYACETIC ACID	A,B,I	1HIV	0.73
NOA	NAPHTHYLOXYACETIC ACID	I	1IVP	0.73
A04	5-[2-(TRIFLUOROMETHOXY)PHENYL]- 2-FUROIC ACID	A	2Q94	0.72
4MU	7-hydroxy-4-methyl-2H-chromen-2- one	A,B	3ETS	0.74
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.76
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.76
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.76
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.76
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.76
3HP	3-HYDROXYPHENYLACETATE	M,N,O,P,Q,R	3PCE	0.74
8CM	8-HYDROXYCOUMARIN	A	2H8Z	0.73
TF5	2-[(2',3',4'-TRIFLUOROBIPHENYL- 2-YL)OXY]ETHANOL	A,B	2OP3	0.71
397	2-(4-HYDROXY-PHENYL)BENZOFURAN- 5-OL	A,B	1U9E	0.73
667	6-OXO-8,9,10,11-TETRAHYDRO-7H-CYCLOHEPTA[C][1]BENZOPYRAN- 3-O-SULFAMATE	A	1TTM	0.76
GRR	(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid	A	3CDS	0.77
MAX	MATAIRESINOL	A	2BGM	0.73
CIO	CILOMILAST	A,B	1XOM	0.71
CIO	CILOMILAST	A,B	1XLX	0.71
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	L	1FLR	0.7
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	A,B	1N0S	0.7
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	C,L	1T66	0.7
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	A	1X9Q	0.7
FLU	2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID	A,D	2NMV	0.7
BZM	BENZOIC ACID PHENYLMETHYLESTER	A,B	1DZM	0.71
BRZ	6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY- 1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2- G]CHROMEN-7-ONE	C	1K3T	0.71
34C	(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID	A,B	1HT8	0.77