MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03326010

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
2HR	HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS1	0.78
OSB	2-SUCCINYLBENZOATE	A	1FHV	0.71
OSB	2-SUCCINYLBENZOATE	A,B,C,D	1SJB	0.71
OSB	2-SUCCINYLBENZOATE	A,B	2QVH	0.71
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A,P,T	2I9G	0.73
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	1HWV	0.73
BZR	1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1MXJ	0.73
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.79
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.79
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.79
2HS	HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER	X	1YS2	0.78
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
ETC	(R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL	A,B	1L2I	0.7
ETC	(R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL	A,B	1L2J	0.7
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1DL4	0.73
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1I7V	0.73
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1QBY	0.73
BPZ	4,4'-cyclohexane-1,1-diyldiphenol	A	2ZKC	0.72
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	2ROU	0.73
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	1HX4	0.73
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1DPM	0.74
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6B	0.74
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1PSC	0.74
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	3E3H	0.74
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1QW7	0.74
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6C	0.74
NF2	(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO- 5-METHYLPHENYL)-5-O-PHOSPHONO-D- RIBITOL	A,B	2G92	0.75
NF2	(1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO- 5-METHYLPHENYL)-5-O-PHOSPHONO-D- RIBITOL	A,B,C,D	2Q1O	0.75
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	A	1BW7	0.75
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	A,T	2VA3	0.75
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	A,B,D,F	2V9W	0.75
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	A,B,D,E,F	2VA2	0.75
DFT	1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE	1,2	1EEK	0.75
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.72
EYK	2-tert-butylbenzene-1,4-diol	D,F	3EYM	0.74
EYK	2-tert-butylbenzene-1,4-diol	B	3EYK	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	0.72
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	0.75
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
TN1	5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL	A	1YSG	0.72
IBP	IBUPROFEN	A	3FKX	0.7
IBP	IBUPROFEN	A,B	2BXG	0.7
IBP	IBUPROFEN	A,B	1EQG	0.7
IBP	IBUPROFEN	A,B,C	2WD9	0.7
IBP	IBUPROFEN	A	2PWS	0.7
BPM	4-PHOSPHONOOXY-PHENYL-METHYL-[4- PHOSPHONOOXY]BENZEN	A	1AAX	0.75
BP7	1,1'-BIPHENYL-3,4-DIOL	A	2EI0	0.7
2DM	2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATE	A,B	1S88	0.75
R12	9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)- 3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID	A	3CBS	0.72
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.77
TBT	8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE- 8,9,10-TRIOL	A	1DJD	0.73
SRL	[2-(3,5-DI-TERT-BUTYL-4-HYDROXY- PHENYL)-1-(DIETHOXY-PHOSPHORYL)- VINYL]-PHOSPHONIC ACID DIETHLYL ESTER	A	1ILH	0.82
SRL	[2-(3,5-DI-TERT-BUTYL-4-HYDROXY- PHENYL)-1-(DIETHOXY-PHOSPHORYL)- VINYL]-PHOSPHONIC ACID DIETHLYL ESTER	A,B	1NRL	0.82
24B	(2,4-DIFLUOROPHENYL)METHANOL	A,B	1QV6	0.72
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.7
2MP	3,4-DIMETHYLPHENOL	A	1L5O	0.75
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.81
I59	HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID	A	1O4G	0.84
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2E2R	0.75
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2P7G	0.75
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
ANF	ANTHRONE	H	2BJM	0.71
IOB	3-IODO-BENZYL ALCOHOL	A,B	1QK0	0.72
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.7
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.76
MNN	(S)-MANDELIC ACID NITRILE	A	1YB6	0.72
SS1	1-PHENYLETHANOL	H	1UM5	0.79
BHQ	2,5-DITERT-BUTYLBENZENE-1,4-DIOL	A,B	2AGV	0.74
ETY	4-ethylphenol	A,B,C,D	2RA6	0.72
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.73
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.73
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.73
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.73
PEL	2-PHENYL-ETHANOL	A	1EYW	0.73
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.73
PCR	P-CRESOL	A	1JHV	0.7
PCR	P-CRESOL	A	1JHU	0.7
PCR	P-CRESOL	A,B,C,D	1DIQ	0.7
1OH	4-(1-methyl-1-phenylethyl)phenol	A	2ZAS	0.74
BPA	7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE	A	1JDG	0.71
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.79
B28		A,B	2E9A	0.81
PFL	2,6-BIS(1-METHYLETHYL)PHENOL	A,B	1E7A	0.78
MXN	(2R)-hydroxy(phenyl)ethanenitrile	A,B	3GDN	0.72
IPB	5-METHYL-2-(1-METHYLETHYL)PHENOL	A,B	1E06	0.76
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXV	0.71
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,E	2IBK	0.71
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,C,D,E,F	2IA6	0.71
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1Y9H	0.71
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1FYY	0.71
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXO	0.71
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1DXA	0.71
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXL	0.71
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,D,E,F	1S0M	0.71
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1BPS	0.71
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,C	1XC9	0.71
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MRA	0.71
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MNS	0.71
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1DTN	0.71
APG	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	A	1MDR	0.71
HXS	4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol	A,B	3CV6	0.75
PYP	2'-DEOXYRIBOFURANOSYLPYRENE-5'- MONOPHOSPHATE	A,B	1FZS	0.73
PYP	2'-DEOXYRIBOFURANOSYLPYRENE-5'- MONOPHOSPHATE	A,B	1FZL	0.73
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B	1QV7	0.72
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B,C,D	1MG0	0.72
2LP	2-ALLYLPHENOL	A	1OV5	0.72
PYY	D-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATE	A	1G2J	0.76
EPT	HEPTANYL-P-PHENOL	A,B	1AHZ	0.76
PIC	6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE- 2-CARBOXYLIC ACID	A	1BZJ	0.72
341	(3,5-difluorophenyl)methanol	C	3EON	0.71
B08		A,B	2E99	0.8
CRS	M-CRESOL	A,B,C,D	1EV3	0.71
CRS	M-CRESOL	A,B,C,D,E,F	2OMG	0.71
CRS	M-CRESOL	A,B	1UZ9	0.71
CRS	M-CRESOL	A,B,C,D	1ZEH	0.71
CRS	M-CRESOL	A,B,C,D,E,F	1ZEI	0.71
CRS	M-CRESOL	A,C,D,E	7INS	0.71
CRS	M-CRESOL	A,B,C,D,E,G, I,K	1EV6	0.71