MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02356903

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
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	0.74
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	0.74
EPL	DIETHYL 4-METHOXYPHENYL PHOSPHATE	A	2R1N	0.71
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
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.74
BR3	(6-METHYL-3,4-DIHYDRO-2H-CHROMEN- 2-YL)METHYLPHOSPHINATE	A	1PE5	0.75
4FE	(2E)-3-(3-hydroxy-4-methoxyphenyl)prop- 2-enoic acid	A	3CBG	0.71
MPP	3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID	A,B	2AY3	0.74
LJ2	2,6-dibromo-4-[(E)-2-phenylethenyl]phenol	A,B	3CN1	0.74
ZHH	2-(4-METHOXYPHENYL)ETHANAMINE	D,H	2HKR	0.8
505	(2R)-1-(2,6-dimethylphenoxy)propan- 2-amine	A	2VIN	0.72
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,C,E	1KYZ	0.71
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1JT2	0.71
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	6ATJ	0.71
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B	1GKL	0.71
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1GWT	0.71
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B,C	2BJH	0.71
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	1GW2	0.71
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	3CBG	0.71
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	2BNJ	0.71
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A,B	1UWC	0.71
FER	3-(4-HYDROXY-3-METHOXYPHENYL)-2- PROPENOIC ACID	A	7ATJ	0.71
TRT	FRAGMENT OF TRITON X-100	A,E	2I0U	0.78
TRT	FRAGMENT OF TRITON X-100	A,B	1OIZ	0.78
BOP	1-BROMO-4-METHOXYBENZENE	C,F	1RHQ	0.81
TF5	2-[(2',3',4'-TRIFLUOROBIPHENYL- 2-YL)OXY]ETHANOL	A,B	2OP3	0.73
LJ4	2,6-dibromo-4-phenoxyphenol	A,B	3CN3	0.71
1OH	4-(1-methyl-1-phenylethyl)phenol	A	2ZAS	0.71
PFL	2,6-BIS(1-METHYLETHYL)PHENOL	A,B	1E7A	0.71
CRS	M-CRESOL	A,B,C,D	1EV3	0.72
CRS	M-CRESOL	A,B,C,D,E,F	2OMG	0.72
CRS	M-CRESOL	A,B	1UZ9	0.72
CRS	M-CRESOL	A,B,C,D	1ZEH	0.72
CRS	M-CRESOL	A,B,C,D,E,F	1ZEI	0.72
CRS	M-CRESOL	A,C,D,E	7INS	0.72
CRS	M-CRESOL	A,B,C,D,E,G, I,K	1EV6	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
258	(2-chloroethoxy)benzene	X	2RAY	0.72
EUG	2-METHOXY-4-VINYL-PHENOL	A	2QU9	0.77
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1QLU	0.77
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1J	0.77
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	2VAO	0.77
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1K	0.77
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1DZN	0.77
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1L	0.77
EUG	2-METHOXY-4-VINYL-PHENOL	A,B	1W1M	0.77
2MP	3,4-DIMETHYLPHENOL	A	1L5O	0.74
TOM	4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID	A	2IMF	0.75
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	0.73
TON	2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL	A,B	1SEZ	0.77
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.73
ZHZ	2-(4-METHOXYPHENYL)ACETAMIDE	D,H	2HKR	0.74
OXN	OXTOXYNOL-10	A	1IKT	0.74
OXN	OXTOXYNOL-10	A,B	2Q32	0.74
OXN	OXTOXYNOL-10	A,B	1UEH	0.74
OXN	OXTOXYNOL-10	A,B	2D4Q	0.74
4BR	2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE	A	1PE7	0.79
LJ3	3,5-dibromobiphenyl-4-ol	A,B	3CN2	0.74
DBA	(2,6-DIMETHYL-PHENOXY)-ACETIC ACID	A,B	1IDB	0.72
268	2-phenoxyethanol	A	2RBR	0.71
HXS	4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol	A,B	3CV6	0.7
2LP	2-ALLYLPHENOL	A	1OV5	0.75
ETY	4-ethylphenol	A,B,C,D	2RA6	0.77
8PS	5-OCTYL-2-PHENOXYPHENOL	A,B,C,D,E,F	2B37	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	0.7
5PP	5-PENTYL-2-PHENOXYPHENOL	A,B,C,D,E,F	2B36	0.72
COU	COUMARIN	A	3CRB	0.72
COU	COUMARIN	A	2PMJ	0.72
COU	COUMARIN	A	2H90	0.72
COU	COUMARIN	A,B,C,D	1Z10	0.72
COU	COUMARIN	A	2PWB	0.72
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2E2R	0.7
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2P7G	0.7
IPB	5-METHYL-2-(1-METHYLETHYL)PHENOL	A,B	1E06	0.71
DR6	ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]- OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL)	C,I,T	1YTZ	0.73
PCR	P-CRESOL	A	1JHV	0.74
PCR	P-CRESOL	A	1JHU	0.74
PCR	P-CRESOL	A,B,C,D	1DIQ	0.74
ANN	4-METHOXYBENZOIC ACID	A	2B96	0.71
ANN	4-METHOXYBENZOIC ACID	A	2QUE	0.71
ANN	4-METHOXYBENZOIC ACID	A	1SV3	0.71
ANN	4-METHOXYBENZOIC ACID	A	1O2E	0.71
ANN	4-METHOXYBENZOIC ACID	A,B,C,D	3CBI	0.71
EPT	HEPTANYL-P-PHENOL	A,B	1AHZ	0.76
CTX	(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)- PHENOXY]-N,N-DIMETHYLETHANAMINE	A,B,C	1YA4	0.73
ZZ1	4-METHYL-2H-CHROMEN-2-ONE	A	2CIP	0.75
PZM	1-(4-METHOXYPHENYL)METHANAMINE	A,D,H	2HJB	0.77