MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02382824

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
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.71
BP7	1,1'-BIPHENYL-3,4-DIOL	A	2EI0	0.73
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
TBC	(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE	A	1N8C	0.82
B28		A,B	2E9A	0.75
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.78
EZT	(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA- 1(10),2,4-TRIENE-3,17-DIOL	A,B	2P15	0.74
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.74
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
369	5-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)- 7-methylnaphthalen-2-ol	A,B	3DT3	0.7
PYP	2'-DEOXYRIBOFURANOSYLPYRENE-5'- MONOPHOSPHATE	A,B	1FZS	0.71
PYP	2'-DEOXYRIBOFURANOSYLPYRENE-5'- MONOPHOSPHATE	A,B	1FZL	0.71
196	3-(3-FLUORO-4-HYDROXYPHENYL)-7- HYDROXY-1-NAPHTHONITRILE	A,B	1YYE	0.72
TN1	5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL	A	1YSG	0.73
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
ANF	ANTHRONE	H	2BJM	0.77
4NA	1-CHLORO-6-(4-HYDROXYPHENYL)-2- NAPHTHOL	A,B	1YY4	0.7
BPY	BIPHENYL-2,3-DIOL	A	1KMY	0.73
BPY	BIPHENYL-2,3-DIOL	B	1KW8	0.73
BPY	BIPHENYL-2,3-DIOL	A	2EI3	0.73
BPY	BIPHENYL-2,3-DIOL	A	1EIR	0.73
BPY	BIPHENYL-2,3-DIOL	B	1KW6	0.73
BPY	BIPHENYL-2,3-DIOL	B	1KWC	0.73
BPY	BIPHENYL-2,3-DIOL	B	1KW9	0.73
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
DIN	1,6-DIHYDROXY NAPHTHALENE	A	1ZB6	0.73
IPB	5-METHYL-2-(1-METHYLETHYL)PHENOL	A,B	1E06	0.7
EPT	HEPTANYL-P-PHENOL	A,B	1AHZ	0.72
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2E2R	0.76
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2P7G	0.76
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
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
564	6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID	A	1FCY	0.74
DES	DIETHYLSTILBESTROL	A,B,C,D	1S9P	0.75
DES	DIETHYLSTILBESTROL	A,B	3ERD	0.75
DES	DIETHYLSTILBESTROL	A,B	1TT6	0.75
DES	DIETHYLSTILBESTROL	A,B,C,D	1TZ8	0.75
SS1	1-PHENYLETHANOL	H	1UM5	0.73
D1N	NAPHTHALENE-1,2-DIOL	A	2EI1	0.71
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.74
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.74
EYK	2-tert-butylbenzene-1,4-diol	D,F	3EYM	0.72
EYK	2-tert-butylbenzene-1,4-diol	B	3EYK	0.72
LYL	2-ALLYL-6-METHYL-PHENOL	A	1OV7	0.71
1OH	4-(1-methyl-1-phenylethyl)phenol	A	2ZAS	0.75
1NP	1-NAPHTHOL	X	2ZVQ	0.74
TTO	(3,4-DIHYDROXY-PHENYL)-TRIPHENYL- ARSONIUM	A	1HYZ	0.7
HXS	4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol	A,B	3CV6	0.78
ETC	(R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL	A,B	1L2I	0.76
ETC	(R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL	A,B	1L2J	0.76
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
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.75
I59	HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID	A	1O4G	0.73
B08		A,B	2E99	0.76
BZR	1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1MXJ	0.82
LJ1	2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol	A,B	3CN0	0.74
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
2MP	3,4-DIMETHYLPHENOL	A	1L5O	0.71
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
TTB	4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID	A	1XAP	0.71
OX1		H,Y	1LO2	0.77
2LP	2-ALLYLPHENOL	A	1OV5	0.7
17M	17-METHYL-17-ALPHA-DIHYDROEQUILENIN	A,B	2B1Z	0.74
BHQ	2,5-DITERT-BUTYLBENZENE-1,4-DIOL	A,B	2AGV	0.7
555	4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME	A,B	2NV7	0.71
SS2	(1R)-1-PHENYLETHANOL	A	1ZK0	0.73
SS2	(1R)-1-PHENYLETHANOL	A	1ZJZ	0.73
SS2	(1R)-1-PHENYLETHANOL	A	1ZJY	0.73
PFL	2,6-BIS(1-METHYLETHYL)PHENOL	A,B	1E7A	0.72
BPZ	4,4'-cyclohexane-1,1-diyldiphenol	A	2ZKC	0.8