MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01734619

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
COU	COUMARIN	A	3CRB	0.82
COU	COUMARIN	A	2PMJ	0.82
COU	COUMARIN	A	2H90	0.82
COU	COUMARIN	A,B,C,D	1Z10	0.82
COU	COUMARIN	A	2PWB	0.82
TOM	4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID	A	2IMF	0.78
PHQ	FORMIC ACID BENZYL ESTER	A,I	2F4O	0.7
PHQ	FORMIC ACID BENZYL ESTER	A	1KJO	0.7
PHQ	FORMIC ACID BENZYL ESTER	I	2CDR	0.7
PHQ	FORMIC ACID BENZYL ESTER	I	2C1E	0.7
PHQ	FORMIC ACID BENZYL ESTER	I	5PAD	0.7
PHQ	FORMIC ACID BENZYL ESTER	E,F	1JXQ	0.7
PHQ	FORMIC ACID BENZYL ESTER	A	2CNO	0.7
PHQ	FORMIC ACID BENZYL ESTER	A,B	1CGL	0.7
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ9	0.7
PHQ	FORMIC ACID BENZYL ESTER	I	2C2K	0.7
PHQ	FORMIC ACID BENZYL ESTER	A,I	2CNL	0.7
PHQ	FORMIC ACID BENZYL ESTER	A	1KJP	0.7
PHQ	FORMIC ACID BENZYL ESTER	I	2C2M	0.7
PHQ	FORMIC ACID BENZYL ESTER	I	2AZB	0.7
PHQ	FORMIC ACID BENZYL ESTER	A	9HVP	0.7
PHQ	FORMIC ACID BENZYL ESTER	A	1ESB	0.7
PHQ	FORMIC ACID BENZYL ESTER	E,F	1DY8	0.7
PHQ	FORMIC ACID BENZYL ESTER	E,I	1PPM	0.7
PHQ	FORMIC ACID BENZYL ESTER	I	1GEC	0.7
PHQ	FORMIC ACID BENZYL ESTER	A	1KS7	0.7
PHQ	FORMIC ACID BENZYL ESTER	C	1A8G	0.7
PHQ	FORMIC ACID BENZYL ESTER	A	1KKK	0.7
PHQ	FORMIC ACID BENZYL ESTER	T,U,V,W,X,Y	1QDU	0.7
PHQ	FORMIC ACID BENZYL ESTER	E,I	4TMN	0.7
PHQ	FORMIC ACID BENZYL ESTER	E,I	5TMN	0.7
PHQ	FORMIC ACID BENZYL ESTER	A	1KTO	0.7
PHQ	FORMIC ACID BENZYL ESTER	A,C	1TG1	0.7
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ8	0.7
PHQ	FORMIC ACID BENZYL ESTER	A,B	2G58	0.7
PHQ	FORMIC ACID BENZYL ESTER	Q,R,S,T,U,V	1F9E	0.7
PHQ	FORMIC ACID BENZYL ESTER	I	2CJY	0.7
PHQ	FORMIC ACID BENZYL ESTER	A,I	1E8M	0.7
PHQ	FORMIC ACID BENZYL ESTER	A	1KR6	0.7
PHQ	FORMIC ACID BENZYL ESTER	E,I	6TMN	0.7
PHQ	FORMIC ACID BENZYL ESTER	A	1KRO	0.7
PHQ	FORMIC ACID BENZYL ESTER	I	2CNN	0.7
PHQ	FORMIC ACID BENZYL ESTER	I	2C2O	0.7
PHQ	FORMIC ACID BENZYL ESTER	A,B	1SQZ	0.7
PHQ	FORMIC ACID BENZYL ESTER	A,B	1THE	0.7
PHQ	FORMIC ACID BENZYL ESTER	I,J	2AZC	0.7
PHQ	FORMIC ACID BENZYL ESTER	E,I	5EST	0.7
PHQ	FORMIC ACID BENZYL ESTER	I	2CNK	0.7
PHQ	FORMIC ACID BENZYL ESTER	A	1KL6	0.7
PHQ	FORMIC ACID BENZYL ESTER	I	6PAD	0.7
PHQ	FORMIC ACID BENZYL ESTER	B,I	2C2Z	0.7
8PS	5-OCTYL-2-PHENOXYPHENOL	A,B,C,D,E,F	2B37	0.81
HFL	5-(3,3-DIHYDROXYPROPENY)-3-METHOXY- BENZENE-1,2-DIOL	C,F	1KYW	0.77
INK	(RP,SP)-O-(2R)-(1-PHENOXYBUT-2- YL)-METHYLPHOSPHONIC ACID CHLORIDE	A	1HQD	0.73
5PP	5-PENTYL-2-PHENOXYPHENOL	A,B,C,D,E,F	2B36	0.81
TF5	2-[(2',3',4'-TRIFLUOROBIPHENYL- 2-YL)OXY]ETHANOL	A,B	2OP3	0.74
FIL	(1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O- (AMINOCARBONYL)OXIME	A,B	1XLZ	0.77
DR6	ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]- OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)	C,I,T	1YTZ	0.76
BYS	2-BENZO[1,3]DIOXOL-5-YLMETHYL-3- BENZYL-SUCCINIC ACID	A,B	1JJE	0.73
VNL	4-HYDROXY-3-METHOXYBENZOATE	A,B,C,D	2AHC	0.75
VNL	4-HYDROXY-3-METHOXYBENZOATE	A	1XLR	0.75
4MU	7-hydroxy-4-methyl-2H-chromen-2- one	A,B	3ETS	0.76
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.74
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.74
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.74
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.74
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.74
BR3	(6-METHYL-3,4-DIHYDRO-2H-CHROMEN- 2-YL)METHYLPHOSPHINATE	A	1PE5	0.74
MR1	1-(1,3-BENZODIOXOL-5-YL)METHANAMINE	A	2ORQ	0.73
MAX	MATAIRESINOL	A	2BGM	0.76
EUG	2-METHOXY-4-VINYL-PHENOL	A	2QU9	0.85
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1QLU	0.85
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1J	0.85
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	2VAO	0.85
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1K	0.85
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1DZN	0.85
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1L	0.85
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1M	0.85
261	2-ethoxyphenol	X	2RB1	0.78
NOA	NAPHTHYLOXYACETIC ACID	A,B,I	1HIV	0.79
NOA	NAPHTHYLOXYACETIC ACID	I	1IVP	0.79
PFI	(6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO- 4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY- 5,6-DIHYDRO-2H-PYRAN-2-ONE	A	2HAI	0.74
2MP	3,4-DIMETHYLPHENOL	A	1L5O	0.7
FHC	2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE	A	2OPA	0.71
FHC	2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE	A,B,C	1MFI	0.71
FHC	2-FLUORO-3-(4-HYDROXYPHENYL)-2E- PROPENEOATE	A,B	1GYY	0.71
EMF	ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate	A,B	2QZZ	0.8
EMF	ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate	A,B	2R2G	0.8
OXN	OXTOXYNOL-10	A	1IKT	0.77
OXN	OXTOXYNOL-10	A,B	2Q32	0.77
OXN	OXTOXYNOL-10	A,B	1UEH	0.77
OXN	OXTOXYNOL-10	A,B	2D4Q	0.77
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
EGC	2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3- TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}- ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)- ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL	A,B	1JP3	0.77
EGC	2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3- TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}- ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)- ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL	A	2W22	0.77
ZHZ	2-(4-METHOXYPHENYL)ACETAMIDE	D,H	2HKR	0.73
258	(2-chloroethoxy)benzene	X	2RAY	0.72
MUG	4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSE	A,B,C,D	1CJP	0.7
YRG	(2S)-2-(4-chlorophenoxy)-3-phenylpropanoic acid	A	3CDP	0.71
DBA	(2,6-DIMETHYL-PHENOXY)-ACETIC ACID	A,B	1IDB	0.83
8CM	8-HYDROXYCOUMARIN	A	2H8Z	0.83
ZZ1	4-METHYL-2H-CHROMEN-2-ONE	A	2CIP	0.83
4TN	(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)-4-HYDROXYPHENYL]ACRYLIC ACID	A	2P1U	0.72
MBD	3-METHYLCATECHOL	A	1KNF	0.72
MPP	3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID	A,B	2AY3	0.86
HOM	7-HYDROXY-4-METHYL-3-(2-HYDROXY- ETHYL)COUMARIN	C,D	1CJF	0.73
HC4		A	1TS6	0.73
HC4		A	3PHY	0.73
HC4		A	3PYP	0.73
HC4		A	1T1C	0.73
HC4		A	1OT6	0.73
HC4		A	1TS0	0.73
HC4		A	1T1A	0.73
HC4		A	2PYP	0.73
HC4		A	2ZOI	0.73
HC4		A	1OTI	0.73
HC4		A	1XFQ	0.73
HC4		A	2D01	0.73
HC4		A,B,C,D,E,F, G,H	2O7B	0.73
HC4		A	2ZOH	0.73
HC4		A	1GSW	0.73
HC4		A	2QJ7	0.73
HC4		A	1F9I	0.73
HC4		X	1UWP	0.73
HC4		A	2PHY	0.73
HC4		A	1T1B	0.73
HC4		A	1F98	0.73
HC4		A	1T19	0.73
HC4		X	1UWN	0.73
HC4		A,B,C,D,E,F, G,H	2O7F	0.73
HC4		A	1UGU	0.73
HC4		A	1TS8	0.73
HC4		A,B	1OTD	0.73
HC4		A	1OTE	0.73
HC4		A	1GSX	0.73
HC4		A	1TS7	0.73
HC4		A	2PYR	0.73
HC4		A	1S4S	0.73
HC4		A	1GSV	0.73
HC4		A	2I9V	0.73
HC4		A	2QWS	0.73
HC4		A	1XFN	0.73
HC4		A	1S4R	0.73
HC4		A	1T18	0.73
HC4		A	1OTA	0.73
HC4		A	1D7E	0.73
HC4		A	1S1Z	0.73
HC4		A,B,C	1MZU	0.73
HC4		A,B	1ODV	0.73
HC4		A,B	2J3J	0.73
HC4		A	2QJ5	0.73
HC4		A	1OTB	0.73
HC4		A	2D02	0.73
HC4		A	1OT9	0.73
HC4		A	1NWZ	0.73
HC4		A	1S1Y	0.73
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	M,N,O,P,Q,R	3PCN	0.7
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	B	1AI4	0.7
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	A,B,C,D	1Q0C	0.7
DHY	2-(3,4-DIHYDROXYPHENYL)ACETIC ACID	A,B	1F1V	0.7
2HC	(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID	A,B	1V5Z	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	0.7
5TN	(2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL- 3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-YL)PHENYL]ACRYLIC ACID	A	2P1V	0.72
CRS	M-CRESOL	A,B,C,D	1EV3	0.7
CRS	M-CRESOL	A,B,C,D,E,F	2OMG	0.7
CRS	M-CRESOL	A,B	1UZ9	0.7
CRS	M-CRESOL	A,B,C,D	1ZEH	0.7
CRS	M-CRESOL	A,B,C,D,E,F	1ZEI	0.7
CRS	M-CRESOL	A,C,D,E	7INS	0.7
CRS	M-CRESOL	A,B,C,D,E,G, I,K	1EV6	0.7
4HC	4-HYDROXY-2H-CHROMEN-2-ONE	A,B	1V5Y	0.78
268	2-phenoxyethanol	A	2RBR	0.76
T4A		C,D	1KGI	0.72
T4A		A,B	1Z7J	0.72
EGT	2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN- 3,5,7-TRIOL	A	1JNQ	0.7
4FE	(2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid	A	3CBG	0.86
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3GCL	0.74
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2QQT	0.74
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1TGM	0.74
AIN	2-(ACETYLOXY)BENZOIC ACID	A	2G5J	0.74
AIN	2-(ACETYLOXY)BENZOIC ACID	A	1OXR	0.74
AIN	2-(ACETYLOXY)BENZOIC ACID	A	3HWY	0.74
505	(2R)-1-(2,6-dimethylphenoxy)propan- 2-amine	A	2VIN	0.71
34C	(3-CHLORO-4-PROPOXY-PHENYL)-ACETIC ACID	A,B	1HT8	0.73
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PIT	0.73
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ1	0.73
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PIU	0.73
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2PKL	0.73
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A,B	3D57	0.73
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ2	0.73
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	2QPY	0.73
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NQ0	0.73
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A	1NUO	0.73
4HY	[4-(4-HYDROXY-3-IODO-PHENOXY)-3,5- DIIODO-PHENYL]-ACETIC ACID	A,B	2PIN	0.73
LRG	(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid	A	3B3K	0.75
LRG	(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid	A	3D6D	0.75
ZHH	2-(4-METHOXYPHENYL)ETHANAMINE	D,H	2HKR	0.73
SXX	SINAPINATE	A,B	1WB4	0.81
VXX	VANILLATE	A,B	1WB6	0.76
TRT	FRAGMENT OF TRITON X-100	A,E	2I0U	0.81
TRT	FRAGMENT OF TRITON X-100	A,B	1OIZ	0.81
NPS	(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid	A	2VDB	0.73
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B	2TPL	0.71
HPP	HYDROXYPHENYL PROPIONIC ACID	A,B,C,D	3GGP	0.71
TON	2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL	A,B	1SEZ	0.8
DHC	CAFFEIC ACID	A,B,C,D,E,F, G,H	2O7D	0.76
DHC	CAFFEIC ACID	A	1KOU	0.76
4BR	2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE	A	1PE7	0.81
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,C,E	1KYZ	0.86
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1JT2	0.86
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	6ATJ	0.86
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B	1GKL	0.86
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1GWT	0.86
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B,C	2BJH	0.86
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1GW2	0.86
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	3CBG	0.86
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	2BNJ	0.86
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B	1UWC	0.86
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	7ATJ	0.86
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	0.71
300	2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE	A	1O41	0.72
CMZ	(2S)-1-(2,5-dimethylphenoxy)-3- morpholin-4-ylpropan-2-ol	A	2OF0	0.71
FX3	5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop- 2-enoyl]-alpha-L-ribofuranose	A	2VGD	0.77
MCT	4-METHYLCATECHOL	A	1L4G	0.74
MCT	4-METHYLCATECHOL	A	2EHZ	0.74
MCT	4-METHYLCATECHOL	A,B	1DMH	0.74
GRR	(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid	A	3CDS	0.78
V55	4-hydroxy-3-methoxybenzaldehyde	B,D,E,F	2VSS	0.75
V55	4-hydroxy-3-methoxybenzaldehyde	A,B,D,E,F	2VSU	0.75
R12	9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)- 3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID	A	3CBS	0.71
G24	[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5- DIMETHYLPHENOXY]ACETIC ACID	A	1Q4X	0.76
2C2	(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID	A	2IME	0.77
2C2	(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID	A	2IMD	0.77
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.78
Y12	4-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP- 1-EN-1-YL}-1,2-PHENYLENE DIACETATE	A	2EW5	0.75
BDS	2,3-BIS-BENZO[1,3]DIOXOL-5-YLMETHYL- SUCCINIC ACID	A,B	1JJT	0.71
3A3		A	2CGU	0.72
KOM	7,8-dihydroxy-4-phenyl-2H-chromen- 2-one	A	2ZVJ	0.77
MGI	methyl 4-(2,3-dihydroxy-5-methylphenoxy)- 2-hydroxy-6-methylbenzoate	A	2ZA0	0.7
PZM	1-(4-METHOXYPHENYL)METHANAMINE	A,D,H	2HJB	0.72
SYR	SYRINGATE	A,B	1WB5	0.73
YR3	(2S)-3-{4-[1-ethyl-1-(4-{[(2R)- 2-hydroxy-3,3-dimethylbutyl]oxy}- 3-methylphenyl)propyl]-2-methylphenoxy}propane- 1,2-diol	A	2ZFX	0.73
POT	(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE	A	2NW6	0.73
B76		A,B	2E9D	0.71
YZ9	7-HYDROXY-2-OXO-CHROMENE-3-CARBOXYLIC ACID ETHYL ESTER	A,B,C	1GCZ	0.73
CIO	CILOMILAST	A,B	1XOM	0.76
CIO	CILOMILAST	A,B	1XLX	0.76