MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02225971

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Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
ANF	ANTHRONE	H	2BJM	0.78
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.73
TBC	(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE	A	1N8C	0.83
156	4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID	A	1FCZ	0.72
B28		A,B	2E9A	0.73
EZT	(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA- 1(10),2,4-TRIENE-3,17-DIOL	A,B	2P15	0.75
TN1	5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL	A	1YSG	0.74
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
BPZ	4,4'-cyclohexane-1,1-diyldiphenol	A	2ZKC	0.77
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.78
ETC	(R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL	A,B	1L2I	0.77
ETC	(R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL	A,B	1L2J	0.77
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXV	0.84
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,E	2IBK	0.84
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,C,D,E,F	2IA6	0.84
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1Y9H	0.84
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1FYY	0.84
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXO	0.84
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1DXA	0.84
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXL	0.84
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,D,E,F	1S0M	0.84
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1BPS	0.84
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,C	1XC9	0.84
SS1	1-PHENYLETHANOL	H	1UM5	0.7
196	3-(3-FLUORO-4-HYDROXYPHENYL)-7- HYDROXY-1-NAPHTHONITRILE	A,B	1YYE	0.72
4NA	1-CHLORO-6-(4-HYDROXYPHENYL)-2- NAPHTHOL	A,B	1YY4	0.7
BPA	7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE	A	1JDG	0.84
2DM	2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATE	A,B	1S88	0.73
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
2E3	(2E)-3-[4-hydroxy-3-(3,5,5,8,8- pentamethyl-5,6,7,8-tetrahydronaphthalen- 2-yl)phenyl]prop-2-enoic acid	A	3FUG	0.71
LJ1	2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol	A,B	3CN0	0.71
BP7	1,1'-BIPHENYL-3,4-DIOL	A	2EI0	0.7
184	6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FCX	0.73
DIN	1,6-DIHYDROXY NAPHTHALENE	A	1ZB6	0.74
564	6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID	A	1FCY	0.75
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.74
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.74
B08		A,B	2E99	0.73
TTB	4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID	A	1XAP	0.72
PYP	2'-DEOXYRIBOFURANOSYLPYRENE-5'- MONOPHOSPHATE	A,B	1FZS	0.72
PYP	2'-DEOXYRIBOFURANOSYLPYRENE-5'- MONOPHOSPHATE	A,B	1FZL	0.72
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2E2R	0.73
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2P7G	0.73
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.7
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.7
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.7
EST	ESTRADIOL	A,B	1GWR	0.71
EST	ESTRADIOL	A	1FDS	0.71
EST	ESTRADIOL	A,B,C	1G50	0.71
EST	ESTRADIOL	A,B,C,D,E,F	1ERE	0.71
EST	ESTRADIOL	A,B	1A52	0.71
EST	ESTRADIOL	A	1FDT	0.71
EST	ESTRADIOL	A	2OCF	0.71
EST	ESTRADIOL	A,B,C	1QKU	0.71
EST	ESTRADIOL	A,B,C,D,L	1E6W	0.71
EST	ESTRADIOL	A	1IOL	0.71
EST	ESTRADIOL	H	1JNN	0.71
EST	ESTRADIOL	B	1QKT	0.71
EST	ESTRADIOL	A	1FDW	0.71
EST	ESTRADIOL	A,B	1AQU	0.71
EST	ESTRADIOL	A	1LHU	0.71
EST	ESTRADIOL	A	1A27	0.71
EST	ESTRADIOL	L	1JGL	0.71
EST	ESTRADIOL	A,B,E,F	1PCG	0.71
EST	ESTRADIOL	A,B,C,D	1FDU	0.71
EST	ESTRADIOL	A	2J7X	0.71
EST	ESTRADIOL	A,B	2D06	0.71
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A,P,T	2I9G	0.82
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	1HWV	0.82
I59	HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID	A	1O4G	0.73
BZR	1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1MXJ	0.82
369	5-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)- 7-methylnaphthalen-2-ol	A,B	3DT3	0.71
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	2ROU	0.82
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	1HX4	0.82
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.72
1NP	1-NAPHTHOL	X	2ZVQ	0.75
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1DL4	0.82
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1I7V	0.82
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1QBY	0.82
TBT	8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE- 8,9,10-TRIOL	A	1DJD	0.82
D1N	NAPHTHALENE-1,2-DIOL	A	2EI1	0.72
HXS	4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol	A,B	3CV6	0.75
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.72
17M	17-METHYL-17-ALPHA-DIHYDROEQUILENIN	A,B	2B1Z	0.74
555	4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME	A,B	2NV7	0.71
1OH	4-(1-methyl-1-phenylethyl)phenol	A	2ZAS	0.72
OX1		H,Y	1LO2	0.78