MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02516887

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Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
I59	HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID	A	1O4G	0.82
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.79
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.79
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.79
SMN	(S)-MANDELIC ACID	A	1MDL	0.72
B08		A,B	2E99	0.77
BPY	BIPHENYL-2,3-DIOL	A	1KMY	0.7
BPY	BIPHENYL-2,3-DIOL	B	1KW8	0.7
BPY	BIPHENYL-2,3-DIOL	A	2EI3	0.7
BPY	BIPHENYL-2,3-DIOL	A	1EIR	0.7
BPY	BIPHENYL-2,3-DIOL	B	1KW6	0.7
BPY	BIPHENYL-2,3-DIOL	B	1KWC	0.7
BPY	BIPHENYL-2,3-DIOL	B	1KW9	0.7
2DM	2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATE	A,B	1S88	0.78
PYP	2'-DEOXYRIBOFURANOSYLPYRENE-5'- MONOPHOSPHATE	A,B	1FZS	0.79
PYP	2'-DEOXYRIBOFURANOSYLPYRENE-5'- MONOPHOSPHATE	A,B	1FZL	0.79
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXV	0.75
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,E	2IBK	0.75
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,C,D,E,F	2IA6	0.75
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1Y9H	0.75
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1FYY	0.75
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXO	0.75
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1DXA	0.75
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXL	0.75
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,D,E,F	1S0M	0.75
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1BPS	0.75
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,C	1XC9	0.75
BPZ	4,4'-cyclohexane-1,1-diyldiphenol	A	2ZKC	0.7
2HS	HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS2	0.77
IOB	3-IODO-BENZYL ALCOHOL	A,B	1QK0	0.71
295	(2S,3S)-3-(4-fluorophenyl)-2,3- dihydroxypropanoic acid	A,B	2RJR	0.71
2HR	HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS1	0.77
1OH	4-(1-methyl-1-phenylethyl)phenol	A	2ZAS	0.71
ESL	ESTRIOL	A	1X8V	0.71
24B	(2,4-DIFLUOROPHENYL)METHANOL	A,B	1QV6	0.7
E3O	(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)- TRIENE-3,16,17-TRIOL	A	2J7Y	0.71
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.73
BPM	4-PHOSPHONOOXY-PHENYL-METHYL-[4- PHOSPHONOOXY]BENZEN	A	1AAX	0.75
BP7	1,1'-BIPHENYL-3,4-DIOL	A	2EI0	0.7
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.78
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.76
DES	DIETHYLSTILBESTROL	A,B,C,D	1S9P	0.74
DES	DIETHYLSTILBESTROL	A,B	3ERD	0.74
DES	DIETHYLSTILBESTROL	A,B	1TT6	0.74
DES	DIETHYLSTILBESTROL	A,B,C,D	1TZ8	0.74
BPA	7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE	A	1JDG	0.75
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.71
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.71
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.71
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.71
PEL	2-PHENYL-ETHANOL	A	1EYW	0.71
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.71
EPT	HEPTANYL-P-PHENOL	A,B	1AHZ	0.7
B76		A,B	2E9D	0.7
LJ1	2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol	A,B	3CN0	0.73
269	(1R)-3-chloro-1-phenylpropan-1- ol	A	2RBS	0.73
PYY	D-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATE	A	1G2J	0.83
FFD	(1R)-1,4-anhydro-2-deoxy-1-(3-fluorophenyl)- 5-O-phosphono-D-erythro-pentitol	A,B,C,D,E,F, G,H,I,J,K,L	2PIS	0.81
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.76
SS1	1-PHENYLETHANOL	H	1UM5	0.79
MXN	(2R)-hydroxy(phenyl)ethanenitrile	A,B	3GDN	0.73
SRL	[2-(3,5-DI-TERT-BUTYL-4-HYDROXY- PHENYL)-1-(DIETHOXY-PHOSPHORYL)- VINYL]-PHOSPHONIC ACID DIETHLYL ESTER	A	1ILH	0.77
SRL	[2-(3,5-DI-TERT-BUTYL-4-HYDROXY- PHENYL)-1-(DIETHOXY-PHOSPHORYL)- VINYL]-PHOSPHONIC ACID DIETHLYL ESTER	A,B	1NRL	0.77
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	A	1BW7	0.8
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	A,T	2VA3	0.8
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	A,B,D,F	2V9W	0.8
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	A,B,D,E,F	2VA2	0.8
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	1,2	1EEK	0.8
TBT	8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE- 8,9,10-TRIOL	A	1DJD	0.76
1NH	(2E,6E)-8-[(3-BENZOYLBENZYL)OXY]- 3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE	B	1O1S	0.71
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1DL4	0.76
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1I7V	0.76
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1QBY	0.76
HXS	4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol	A,B	3CV6	0.73
RMN	(R)-MANDELIC ACID	A	1MDL	0.72
RMN	(R)-MANDELIC ACID	A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P	1MCZ	0.72
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	2ROU	0.76
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	1HX4	0.76
BZR	1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1MXJ	0.76
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B	1QV7	0.7
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B,C,D	1MG0	0.7
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A,P,T	2I9G	0.76
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	1HWV	0.76
B28		A,B	2E9A	0.76
NF2	(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO- 5-METHYLPHENYL)-5-O-PHOSPHONO-D- RIBITOL	A,B	2G92	0.79
NF2	(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO- 5-METHYLPHENYL)-5-O-PHOSPHONO-D- RIBITOL	A,B,C,D	2Q1O	0.79
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2E2R	0.72
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2P7G	0.72
MNN	(S)-MANDELIC ACID NITRILE	A	1YB6	0.73