MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00021032

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
OXN	OXTOXYNOL-10	A	1IKT	0.78
OXN	OXTOXYNOL-10	A,B	2Q32	0.78
OXN	OXTOXYNOL-10	A,B	1UEH	0.78
OXN	OXTOXYNOL-10	A,B	2D4Q	0.78
2MP	3,4-DIMETHYLPHENOL	A	1L5O	0.77
EUG	2-METHOXY-4-VINYL-PHENOL	A	2QU9	0.93
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1QLU	0.93
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1J	0.93
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	2VAO	0.93
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1K	0.93
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1DZN	0.93
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1L	0.93
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1M	0.93
268	2-phenoxyethanol	A	2RBR	0.78
EPT	HEPTANYL-P-PHENOL	A,B	1AHZ	0.74
EGT	2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN- 3,5,7-TRIOL	A	1JNQ	0.71
BP7	1,1'-BIPHENYL-3,4-DIOL	A	2EI0	0.75
BR3	(6-METHYL-3,4-DIHYDRO-2H-CHROMEN- 2-YL)METHYLPHOSPHINATE	A	1PE5	0.75
IPB	5-METHYL-2-(1-METHYLETHYL)PHENOL	A,B	1E06	0.73
ETY	4-ethylphenol	A,B,C,D	2RA6	0.76
ZHH	2-(4-METHOXYPHENYL)ETHANAMINE	D,H	2HKR	0.8
CTX	(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINE	A,B,C	1YA4	0.71
505	(2R)-1-(2,6-dimethylphenoxy)propan- 2-amine	A	2VIN	0.72
SYR	SYRINGATE	A,B	1WB5	0.71
MCT	4-METHYLCATECHOL	A	1L4G	0.81
MCT	4-METHYLCATECHOL	A	2EHZ	0.81
MCT	4-METHYLCATECHOL	A,B	1DMH	0.81
VNL	4-HYDROXY-3-METHOXYBENZOATE	A,B,C,D	2AHC	0.74
VNL	4-HYDROXY-3-METHOXYBENZOATE	A	1XLR	0.74
258	(2-chloroethoxy)benzene	X	2RAY	0.73
PCR	P-CRESOL	A	1JHV	0.76
PCR	P-CRESOL	A	1JHU	0.76
PCR	P-CRESOL	A,B,C,D	1DIQ	0.76
UQ6	5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA- 2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY- 6-METHYL-BENZENE-1,4-DIOL	C,D,E	1EZV	0.74
UQ6	5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA- 2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY- 6-METHYL-BENZENE-1,4-DIOL	A,C,D,E	1P84	0.74
UQ6	5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA- 2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY- 6-METHYL-BENZENE-1,4-DIOL	C,D,E	2IBZ	0.74
UQ6	5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA- 2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY- 6-METHYL-BENZENE-1,4-DIOL	A,C,D,E	1KB9	0.74
TCT	6-(4-CHLORO-2-HYDROXY-PHENOXY)- NAPHTHALEN-2-OL	A,B	1NNU	0.7
FCR	ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL	A,B	1E0Y	0.71
FCR	ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL	A,B	1E8G	0.71
INK	(RP,SP)-O-(2R)-(1-PHENOXYBUT-2- YL)-METHYLPHOSPHONIC ACID CHLORIDE	A	1HQD	0.74
DBA	(2,6-DIMETHYL-PHENOXY)-ACETIC ACID	A,B	1IDB	0.76
MPP	3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID	A,B	2AY3	0.85
3MB	3-METHOXYBENZAMIDE	A	3PAX	0.71
1OH	4-(1-methyl-1-phenylethyl)phenol	A	2ZAS	0.71
PIT	PICEATANNOL	A,B,C,D,E,F, G,H,I,J,K,L, M,N	2JJ1	0.73
DHC	CAFFEIC ACID	A,B,C,D,E,F, G,H	2O7D	0.74
DHC	CAFFEIC ACID	A	1KOU	0.74
JPM	5-benzyl-2-(2,4-dichlorophenoxy)phenol	A,B,C,D	3FNF	0.7
B76		A,B	2E9D	0.72
DES	DIETHYLSTILBESTROL	A,B,C,D	1S9P	0.73
DES	DIETHYLSTILBESTROL	A,B	3ERD	0.73
DES	DIETHYLSTILBESTROL	A,B	1TT6	0.73
DES	DIETHYLSTILBESTROL	A,B,C,D	1TZ8	0.73
CRS	M-CRESOL	A,B,C,D	1EV3	0.77
CRS	M-CRESOL	A,B,C,D,E,F	2OMG	0.77
CRS	M-CRESOL	A,B	1UZ9	0.77
CRS	M-CRESOL	A,B,C,D	1ZEH	0.77
CRS	M-CRESOL	A,B,C,D,E,F	1ZEI	0.77
CRS	M-CRESOL	A,C,D,E	7INS	0.77
CRS	M-CRESOL	A,B,C,D,E,G, I,K	1EV6	0.77
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.72
2C2	(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID	A	2IME	0.71
2C2	(2S)-2-HYDROXY-2H-CHROMENE-2-CARBOXYLIC ACID	A	2IMD	0.71
JPL	5-(cyclohexa-1,5-dien-1-ylmethyl)- 2-(2,4-dichlorophenoxy)phenol	A	3FNG	0.71
FIL	(1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O- (AMINOCARBONYL)OXIME	A,B	1XLZ	0.74
G24	[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5- DIMETHYLPHENOXY]ACETIC ACID	A	1Q4X	0.7
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.72
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.72
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.72
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.72
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.72
MBD	3-METHYLCATECHOL	A	1KNF	0.78
VXX	VANILLATE	A,B	1WB6	0.74
5PP	5-PENTYL-2-PHENOXYPHENOL	A,B,C,D,E,F	2B36	0.83
EMF	ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate	A,B	2QZZ	0.76
EMF	ethyl (1S,2S)-2-(4-hydroxy-3-methoxyphenyl)cyclopropanecarboxylate	A,B	2R2G	0.76
AI7	3-(heptyloxy)benzoic acid	A,B	2O3Z	0.71
TN1	5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL	A	1YSG	0.7
BPY	BIPHENYL-2,3-DIOL	A	1KMY	0.74
BPY	BIPHENYL-2,3-DIOL	B	1KW8	0.74
BPY	BIPHENYL-2,3-DIOL	A	2EI3	0.74
BPY	BIPHENYL-2,3-DIOL	A	1EIR	0.74
BPY	BIPHENYL-2,3-DIOL	B	1KW6	0.74
BPY	BIPHENYL-2,3-DIOL	B	1KWC	0.74
BPY	BIPHENYL-2,3-DIOL	B	1KW9	0.74
MR1	1-(1,3-BENZODIOXOL-5-YL)METHANAMINE	A	2ORQ	0.78
BGG	CARBONIC ACID MONOBENZYL ESTER	B,D	1DLK	0.7
CMZ	(2S)-1-(2,5-dimethylphenoxy)-3- morpholin-4-ylpropan-2-ol	A	2OF0	0.72
EYK	2-tert-butylbenzene-1,4-diol	D,F	3EYM	0.72
EYK	2-tert-butylbenzene-1,4-diol	B	3EYK	0.72
8PS	5-OCTYL-2-PHENOXYPHENOL	A,B,C,D,E,F	2B37	0.83
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	0.78
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	0.78
300	2-FORMYL-6-METHOXYPHENYL DIHYDROGEN PHOSPHATE	A	1O41	0.74
8PP	2-[(2E,6E,10E,14E,18E,22E,26E)- 3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA- 2,6,10,14,18,22,26,30-OCTAENYL]PHENOL	A,B,C,D	1Y0G	0.71
4HM	4-HYDROPEROXY-2-METHOXY-PHENOL	A	1HU9	0.73
4HC	4-HYDROXY-2H-CHROMEN-2-ONE	A,B	1V5Y	0.7
TOM	4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID	A	2IMF	0.76
2LP	2-ALLYLPHENOL	A	1OV5	0.73
PHQ	FORMIC ACID BENZYL ESTER	A,I	2F4O	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KJO	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2CDR	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2C1E	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	5PAD	0.71
PHQ	FORMIC ACID BENZYL ESTER	E,F	1JXQ	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	2CNO	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,B	1CGL	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ9	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2C2K	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,I	2CNL	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KJP	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2C2M	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2AZB	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	9HVP	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1ESB	0.71
PHQ	FORMIC ACID BENZYL ESTER	E,F	1DY8	0.71
PHQ	FORMIC ACID BENZYL ESTER	E,I	1PPM	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	1GEC	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KS7	0.71
PHQ	FORMIC ACID BENZYL ESTER	C	1A8G	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KKK	0.71
PHQ	FORMIC ACID BENZYL ESTER	T,U,V,W,X,Y	1QDU	0.71
PHQ	FORMIC ACID BENZYL ESTER	E,I	4TMN	0.71
PHQ	FORMIC ACID BENZYL ESTER	E,I	5TMN	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KTO	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,C	1TG1	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ8	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,B	2G58	0.71
PHQ	FORMIC ACID BENZYL ESTER	Q,R,S,T,U,V	1F9E	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2CJY	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,I	1E8M	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KR6	0.71
PHQ	FORMIC ACID BENZYL ESTER	E,I	6TMN	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KRO	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2CNN	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2C2O	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,B	1SQZ	0.71
PHQ	FORMIC ACID BENZYL ESTER	A,B	1THE	0.71
PHQ	FORMIC ACID BENZYL ESTER	I,J	2AZC	0.71
PHQ	FORMIC ACID BENZYL ESTER	E,I	5EST	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	2CNK	0.71
PHQ	FORMIC ACID BENZYL ESTER	A	1KL6	0.71
PHQ	FORMIC ACID BENZYL ESTER	I	6PAD	0.71
PHQ	FORMIC ACID BENZYL ESTER	B,I	2C2Z	0.71
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.71
FX3	5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop- 2-enoyl]-alpha-L-ribofuranose	A	2VGD	0.74
261	2-ethoxyphenol	X	2RB1	0.79
PO1	(9BETA,13ALPHA,14BETA,17ALPHA)- 2-METHOXYESTRA-1,3,5(10)-TRIENE- 3,17-DIYL DISULFAMATE	A	2GD8	0.74
V55	4-hydroxy-3-methoxybenzaldehyde	B,D,E,F	2VSS	0.78
V55	4-hydroxy-3-methoxybenzaldehyde	A,B,D,E,F	2VSU	0.78
ZHZ	2-(4-METHOXYPHENYL)ACETAMIDE	D,H	2HKR	0.76
BOP	1-BROMO-4-METHOXYBENZENE	C,F	1RHQ	0.72
DR6	ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]- OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)	C,I,T	1YTZ	0.78
HC4		A	1TS6	0.71
HC4		A	3PHY	0.71
HC4		A	3PYP	0.71
HC4		A	1T1C	0.71
HC4		A	1OT6	0.71
HC4		A	1TS0	0.71
HC4		A	1T1A	0.71
HC4		A	2PYP	0.71
HC4		A	2ZOI	0.71
HC4		A	1OTI	0.71
HC4		A	1XFQ	0.71
HC4		A	2D01	0.71
HC4		A,B,C,D,E,F, G,H	2O7B	0.71
HC4		A	2ZOH	0.71
HC4		A	1GSW	0.71
HC4		A	2QJ7	0.71
HC4		A	1F9I	0.71
HC4		X	1UWP	0.71
HC4		A	2PHY	0.71
HC4		A	1T1B	0.71
HC4		A	1F98	0.71
HC4		A	1T19	0.71
HC4		X	1UWN	0.71
HC4		A,B,C,D,E,F, G,H	2O7F	0.71
HC4		A	1UGU	0.71
HC4		A	1TS8	0.71
HC4		A,B	1OTD	0.71
HC4		A	1OTE	0.71
HC4		A	1GSX	0.71
HC4		A	1TS7	0.71
HC4		A	2PYR	0.71
HC4		A	1S4S	0.71
HC4		A	1GSV	0.71
HC4		A	2I9V	0.71
HC4		A	2QWS	0.71
HC4		A	1XFN	0.71
HC4		A	1S4R	0.71
HC4		A	1T18	0.71
HC4		A	1OTA	0.71
HC4		A	1D7E	0.71
HC4		A	1S1Z	0.71
HC4		A,B,C	1MZU	0.71
HC4		A,B	1ODV	0.71
HC4		A,B	2J3J	0.71
HC4		A	2QJ5	0.71
HC4		A	1OTB	0.71
HC4		A	2D02	0.71
HC4		A	1OT9	0.71
HC4		A	1NWZ	0.71
HC4		A	1S1Y	0.71
HXS	4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol	A,B	3CV6	0.72
MSB	1-METHYLOXY-4-SULFONE-BENZENE	A	1EUB	0.73
MSB	1-METHYLOXY-4-SULFONE-BENZENE	A	1BM6	0.73
COU	COUMARIN	A	3CRB	0.73
COU	COUMARIN	A	2PMJ	0.73
COU	COUMARIN	A	2H90	0.73
COU	COUMARIN	A,B,C,D	1Z10	0.73
COU	COUMARIN	A	2PWB	0.73
ZAR	6-(4-DIFLUOROMETHOXY-3-METHOXY- PHENYL)-2H-PYRIDAZIN-3-ONE	A,B	1XOR	0.7
ZAR	6-(4-DIFLUOROMETHOXY-3-METHOXY- PHENYL)-2H-PYRIDAZIN-3-ONE	A,B,C,D,E,F, G,H,I,J,K,L	1MKD	0.7
4FE	(2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid	A	3CBG	0.85
BYS	2-BENZO[1,3]DIOXOL-5-YLMETHYL-3- BENZYL-SUCCINIC ACID	A,B	1JJE	0.71
ESM	1,3,5(10)-ESTRATRIEN-2,3,17-BETA- TRIOL 2-METHYL ETHER	A	1LHW	0.74
STL	RESVERATROL	A,B	3CKL	0.72
STL	RESVERATROL	A,B,C,D	1U0W	0.72
STL	RESVERATROL	A	1CGZ	0.72
STL	RESVERATROL	A,B,C,D,E,F, G,H,I,J,K,L, M,N	2JIZ	0.72
STL	RESVERATROL	A	1Z1F	0.72
STL	RESVERATROL	A	1DVS	0.72
STL	RESVERATROL	A,B	1SG0	0.72
EPL	DIETHYL 4-METHOXYPHENYL PHOSPHATE	A	2R1N	0.75
HFL	5-(3,3-DIHYDROXYPROPENY)-3-METHOXY- BENZENE-1,2-DIOL	C,F	1KYW	0.82
PZM	1-(4-METHOXYPHENYL)METHANAMINE	A,D,H	2HJB	0.78
TRT	FRAGMENT OF TRITON X-100	A,E	2I0U	0.83
TRT	FRAGMENT OF TRITON X-100	A,B	1OIZ	0.83
POT	(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE	A	2NW6	0.74
D1N	NAPHTHALENE-1,2-DIOL	A	2EI1	0.72
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	0.74
NPS	(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid	A	2VDB	0.72
NOA	NAPHTHYLOXYACETIC ACID	A,B,I	1HIV	0.73
NOA	NAPHTHYLOXYACETIC ACID	I	1IVP	0.73
4BR	2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE	A	1PE7	0.82
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,C,E	1KYZ	0.85
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1JT2	0.85
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	6ATJ	0.85
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B	1GKL	0.85
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1GWT	0.85
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B,C	2BJH	0.85
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1GW2	0.85
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	3CBG	0.85
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	2BNJ	0.85
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B	1UWC	0.85
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	7ATJ	0.85
TF5	2-[(2',3',4'-TRIFLUOROBIPHENYL- 2-YL)OXY]ETHANOL	A,B	2OP3	0.76
GRR	(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid	A	3CDS	0.72
H53	2-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE- 3,4,5-TRIOL	A	2FF5	0.71
H53	2-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE- 3,4,5-TRIOL	A	2FET	0.71
SXX	SINAPINATE	A,B	1WB4	0.8
8CM	8-HYDROXYCOUMARIN	A	2H8Z	0.75
MAX	MATAIRESINOL	A	2BGM	0.73
ZZ1	4-METHYL-2H-CHROMEN-2-ONE	A	2CIP	0.75
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2E2R	0.72
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2P7G	0.72
CTF	(17beta)-17-(cyanomethyl)-2-methoxyestra- 1(10),2,4-trien-3-yl sulfamate	A	3BET	0.73
TON	2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL	A,B	1SEZ	0.81
CIO	CILOMILAST	A,B	1XOM	0.71
CIO	CILOMILAST	A,B	1XLX	0.71