MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03296155

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
DRQ	(9ALPHA,13BETA,17BETA)-2-[(1Z)- BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE- 3,17-DIOL	A,B	2G5O	0.73
TTL	TRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL	A,B	2AN5	0.77
DES	DIETHYLSTILBESTROL	A,B,C,D	1S9P	0.7
DES	DIETHYLSTILBESTROL	A,B	3ERD	0.7
DES	DIETHYLSTILBESTROL	A,B	1TT6	0.7
DES	DIETHYLSTILBESTROL	A,B,C,D	1TZ8	0.7
TBC	(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE	A	1N8C	0.82
I59	HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID	A	1O4G	0.83
EST	ESTRADIOL	A,B	1GWR	0.72
EST	ESTRADIOL	A	1FDS	0.72
EST	ESTRADIOL	A,B,C	1G50	0.72
EST	ESTRADIOL	A,B,C,D,E,F	1ERE	0.72
EST	ESTRADIOL	A,B	1A52	0.72
EST	ESTRADIOL	A	1FDT	0.72
EST	ESTRADIOL	A	2OCF	0.72
EST	ESTRADIOL	A,B,C	1QKU	0.72
EST	ESTRADIOL	A,B,C,D,L	1E6W	0.72
EST	ESTRADIOL	A	1IOL	0.72
EST	ESTRADIOL	H	1JNN	0.72
EST	ESTRADIOL	B	1QKT	0.72
EST	ESTRADIOL	A	1FDW	0.72
EST	ESTRADIOL	A,B	1AQU	0.72
EST	ESTRADIOL	A	1LHU	0.72
EST	ESTRADIOL	A	1A27	0.72
EST	ESTRADIOL	L	1JGL	0.72
EST	ESTRADIOL	A,B,E,F	1PCG	0.72
EST	ESTRADIOL	A,B,C,D	1FDU	0.72
EST	ESTRADIOL	A	2J7X	0.72
EST	ESTRADIOL	A,B	2D06	0.72
564	6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID	A	1FCY	0.7
BZR	1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1MXJ	0.84
MNN	(S)-MANDELIC ACID NITRILE	A	1YB6	0.76
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A,P,T	2I9G	0.84
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	1HWV	0.84
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.72
156	4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID	A	1FCZ	0.7
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	2ROU	0.84
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	1HX4	0.84
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1DL4	0.84
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1I7V	0.84
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1QBY	0.84
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.81
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.81
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.81
4NA	1-CHLORO-6-(4-HYDROXYPHENYL)-2- NAPHTHOL	A,B	1YY4	0.7
196	3-(3-FLUORO-4-HYDROXYPHENYL)-7- HYDROXY-1-NAPHTHONITRILE	A,B	1YYE	0.75
TBT	8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE- 8,9,10-TRIOL	A	1DJD	0.84
341	(3,5-difluorophenyl)methanol	C	3EON	0.77
24B	(2,4-DIFLUOROPHENYL)METHANOL	A,B	1QV6	0.78
CTL	CIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN- 1-OL	A,B	2AN3	0.77
1NP	1-NAPHTHOL	X	2ZVQ	0.79
269	(1R)-3-chloro-1-phenylpropan-1- ol	A	2RBS	0.76
B28		A,B	2E9A	0.7
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.93
2DM	2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATE	A,B	1S88	0.74
PPP	3-PHENYL-1,2-PROPANDIOL	A,B	1HRN	0.74
184	6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FCX	0.74
IPB	5-METHYL-2-(1-METHYLETHYL)PHENOL	A,B	1E06	0.72
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.81
MXN	(2R)-hydroxy(phenyl)ethanenitrile	A,B	3GDN	0.76
PIC	6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE- 2-CARBOXYLIC ACID	A	1BZJ	0.75
4FC		A	1YSG	0.72
PEL	2-PHENYL-ETHANOL	A,B	1I0D	0.74
PEL	2-PHENYL-ETHANOL	D,H	2I0T	0.74
PEL	2-PHENYL-ETHANOL	A,B	1HZY	0.74
PEL	2-PHENYL-ETHANOL	A,B	1I0B	0.74
PEL	2-PHENYL-ETHANOL	A	1EYW	0.74
PEL	2-PHENYL-ETHANOL	A,B	1JGM	0.74
D1N	NAPHTHALENE-1,2-DIOL	A	2EI1	0.74
1OH	4-(1-methyl-1-phenylethyl)phenol	A	2ZAS	0.73
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
ETC	(R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL	A,B	1L2I	0.71
ETC	(R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL	A,B	1L2J	0.71
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2E2R	0.73
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2P7G	0.73
ANF	ANTHRONE	H	2BJM	0.81
DIN	1,6-DIHYDROXY NAPHTHALENE	A	1ZB6	0.76
26C		A,B	2F7I	0.73
17M	17-METHYL-17-ALPHA-DIHYDROEQUILENIN	A,B	2B1Z	0.72
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXV	0.82
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,E	2IBK	0.82
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,C,D,E,F	2IA6	0.82
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1Y9H	0.82
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1FYY	0.82
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXO	0.82
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1DXA	0.82
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXL	0.82
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,D,E,F	1S0M	0.82
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1BPS	0.82
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,C	1XC9	0.82
BPZ	4,4'-cyclohexane-1,1-diyldiphenol	A	2ZKC	0.71
SS1	1-PHENYLETHANOL	H	1UM5	0.81
2MP	3,4-DIMETHYLPHENOL	A	1L5O	0.71
PFB	2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL	A,B	1MGO	0.7
PFB	2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL	A,B	1HLD	0.7
FCR	ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL	A,B	1E0Y	0.7
FCR	ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL	A,B	1E8G	0.7
NLA	NAPHTHALEN-1-YL-ACETIC ACID	A,B,C,D	1LRH	0.74
NLA	NAPHTHALEN-1-YL-ACETIC ACID	B	2P1O	0.74
4FA	4-FLUOROPHENETHYL ALCOHOL	A	1OWZ	0.75
HXS	4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol	A,B	3CV6	0.73
BPA	7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE	A	1JDG	0.82
ESL	ESTRIOL	A	1X8V	0.7
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.81
E3O	(16ALPHA,17ALPHA)-ESTRA-1,3,5(10)- TRIENE-3,16,17-TRIOL	A	2J7Y	0.7
IOB	3-IODO-BENZYL ALCOHOL	A,B	1QK0	0.74
FBC		A,B	2B9A	0.73
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B	1QV7	0.78
DFB	2,3-DIFLUOROBENZYL ALCOHOL	A,B,C,D	1MG0	0.78
2LP	2-ALLYLPHENOL	A	1OV5	0.7
BP7	1,1'-BIPHENYL-3,4-DIOL	A	2EI0	0.71
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.75
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.75
EZT	(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA- 1(10),2,4-TRIENE-3,17-DIOL	A,B	2P15	0.71
PYP	2'-DEOXYRIBOFURANOSYLPYRENE-5'- MONOPHOSPHATE	A,B	1FZS	0.73
PYP	2'-DEOXYRIBOFURANOSYLPYRENE-5'- MONOPHOSPHATE	A,B	1FZL	0.73
LJ1	2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol	A,B	3CN0	0.72
TN1	5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL	A	1YSG	0.76
555	4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME	A,B	2NV7	0.71
RSO	R-STYRENE OXIDE	A,B	1PWZ	0.71
PFL	2,6-BIS(1-METHYLETHYL)PHENOL	A,B	1E7A	0.72