MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02791861

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	0.7
OXN	OXTOXYNOL-10	A,B	2Q32	0.7
OXN	OXTOXYNOL-10	A,B	1UEH	0.7
OXN	OXTOXYNOL-10	A,B	2D4Q	0.7
G24	[4-(3-BENZYL-4-HYDROXYBENZYL)-3,5- DIMETHYLPHENOXY]ACETIC ACID	A	1Q4X	0.73
BR3	(6-METHYL-3,4-DIHYDRO-2H-CHROMEN- 2-YL)METHYLPHOSPHINATE	A	1PE5	0.73
5PP	5-PENTYL-2-PHENOXYPHENOL	A,B,C,D,E,F	2B36	0.71
8PS	5-OCTYL-2-PHENOXYPHENOL	A,B,C,D,E,F	2B37	0.71
HXS	4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol	A,B	3CV6	0.71
4BR	2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE	A	1PE7	0.7
PHQ	FORMIC ACID BENZYL ESTER	A,I	2F4O	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1KJO	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2CDR	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2C1E	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	5PAD	0.72
PHQ	FORMIC ACID BENZYL ESTER	E,F	1JXQ	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	2CNO	0.72
PHQ	FORMIC ACID BENZYL ESTER	A,B	1CGL	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ9	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2C2K	0.72
PHQ	FORMIC ACID BENZYL ESTER	A,I	2CNL	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1KJP	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2C2M	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2AZB	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	9HVP	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1ESB	0.72
PHQ	FORMIC ACID BENZYL ESTER	E,F	1DY8	0.72
PHQ	FORMIC ACID BENZYL ESTER	E,I	1PPM	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	1GEC	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1KS7	0.72
PHQ	FORMIC ACID BENZYL ESTER	C	1A8G	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1KKK	0.72
PHQ	FORMIC ACID BENZYL ESTER	T,U,V,W,X,Y	1QDU	0.72
PHQ	FORMIC ACID BENZYL ESTER	E,I	4TMN	0.72
PHQ	FORMIC ACID BENZYL ESTER	E,I	5TMN	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1KTO	0.72
PHQ	FORMIC ACID BENZYL ESTER	A,C	1TG1	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2AZ8	0.72
PHQ	FORMIC ACID BENZYL ESTER	A,B	2G58	0.72
PHQ	FORMIC ACID BENZYL ESTER	Q,R,S,T,U,V	1F9E	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2CJY	0.72
PHQ	FORMIC ACID BENZYL ESTER	A,I	1E8M	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1KR6	0.72
PHQ	FORMIC ACID BENZYL ESTER	E,I	6TMN	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1KRO	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2CNN	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2C2O	0.72
PHQ	FORMIC ACID BENZYL ESTER	A,B	1SQZ	0.72
PHQ	FORMIC ACID BENZYL ESTER	A,B	1THE	0.72
PHQ	FORMIC ACID BENZYL ESTER	I,J	2AZC	0.72
PHQ	FORMIC ACID BENZYL ESTER	E,I	5EST	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	2CNK	0.72
PHQ	FORMIC ACID BENZYL ESTER	A	1KL6	0.72
PHQ	FORMIC ACID BENZYL ESTER	I	6PAD	0.72
PHQ	FORMIC ACID BENZYL ESTER	B,I	2C2Z	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	0.74
TON	2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL	A,B	1SEZ	0.73
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2E2R	0.71
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2P7G	0.71
TRT	FRAGMENT OF TRITON X-100	A,E	2I0U	0.74
TRT	FRAGMENT OF TRITON X-100	A,B	1OIZ	0.74
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
MPP	3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACID	A,B	2AY3	0.72
B65	(1R)-4-(3-phenoxyphenyl)-1-phosphonobutane- 1-sulfonic acid	A	2ZCQ	0.74
COU	COUMARIN	A	3CRB	0.76
COU	COUMARIN	A	2PMJ	0.76
COU	COUMARIN	A	2H90	0.76
COU	COUMARIN	A,B,C,D	1Z10	0.76
COU	COUMARIN	A	2PWB	0.76
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	0.7
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	0.7
TOM	4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID	A	2IMF	0.74
ZZ1	4-METHYL-2H-CHROMEN-2-ONE	A	2CIP	0.77
STH	2-AMINO-4H-1,3-BENZOXATHIIN-4-OL	A,B,C,D	1XKL	0.71
BPY	BIPHENYL-2,3-DIOL	A	1KMY	0.71
BPY	BIPHENYL-2,3-DIOL	B	1KW8	0.71
BPY	BIPHENYL-2,3-DIOL	A	2EI3	0.71
BPY	BIPHENYL-2,3-DIOL	A	1EIR	0.71
BPY	BIPHENYL-2,3-DIOL	B	1KW6	0.71
BPY	BIPHENYL-2,3-DIOL	B	1KWC	0.71
BPY	BIPHENYL-2,3-DIOL	B	1KW9	0.71
NPS	(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid	A	2VDB	0.75
1OH	4-(1-methyl-1-phenylethyl)phenol	A	2ZAS	0.7
OBP		A,B	2DE3	0.71
DBA	(2,6-DIMETHYL-PHENOXY)-ACETIC ACID	A,B	1IDB	0.74
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	0.71
NOA	NAPHTHYLOXYACETIC ACID	A,B,I	1HIV	0.75
NOA	NAPHTHYLOXYACETIC ACID	I	1IVP	0.75
4HC	4-HYDROXY-2H-CHROMEN-2-ONE	A,B	1V5Y	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	0.74
4TN	(2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)-4-HYDROXYPHENYL]ACRYLIC ACID	A	2P1U	0.71
TF5	2-[(2',3',4'-TRIFLUOROBIPHENYL- 2-YL)OXY]ETHANOL	A,B	2OP3	0.76
B76		A,B	2E9D	0.71