MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02225973

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
ANF	ANTHRONE	H	2BJM	0.78
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXV	0.85
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,E	2IBK	0.85
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,C,D,E,F	2IA6	0.85
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1Y9H	0.85
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1FYY	0.85
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXO	0.85
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1DXA	0.85
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1AXL	0.85
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,B,D,E,F	1S0M	0.85
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A	1BPS	0.85
BAP	1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE	A,C	1XC9	0.85
TBC	(9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE	A	1N8C	0.83
B28		A,B	2E9A	0.73
B08		A,B	2E99	0.72
17M	17-METHYL-17-ALPHA-DIHYDROEQUILENIN	A,B	2B1Z	0.76
564	6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID	A	1FCY	0.77
254	6-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID	A	1FD0	0.7
EZT	(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA- 1(10),2,4-TRIENE-3,17-DIOL	A,B	2P15	0.74
EST	ESTRADIOL	A,B	1GWR	0.7
EST	ESTRADIOL	A	1FDS	0.7
EST	ESTRADIOL	A,B,C	1G50	0.7
EST	ESTRADIOL	A,B,C,D,E,F	1ERE	0.7
EST	ESTRADIOL	A,B	1A52	0.7
EST	ESTRADIOL	A	1FDT	0.7
EST	ESTRADIOL	A	2OCF	0.7
EST	ESTRADIOL	A,B,C	1QKU	0.7
EST	ESTRADIOL	A,B,C,D,L	1E6W	0.7
EST	ESTRADIOL	A	1IOL	0.7
EST	ESTRADIOL	H	1JNN	0.7
EST	ESTRADIOL	B	1QKT	0.7
EST	ESTRADIOL	A	1FDW	0.7
EST	ESTRADIOL	A,B	1AQU	0.7
EST	ESTRADIOL	A	1LHU	0.7
EST	ESTRADIOL	A	1A27	0.7
EST	ESTRADIOL	L	1JGL	0.7
EST	ESTRADIOL	A,B,E,F	1PCG	0.7
EST	ESTRADIOL	A,B,C,D	1FDU	0.7
EST	ESTRADIOL	A	2J7X	0.7
EST	ESTRADIOL	A,B	2D06	0.7
DES	DIETHYLSTILBESTROL	A,B,C,D	1S9P	0.72
DES	DIETHYLSTILBESTROL	A,B	3ERD	0.72
DES	DIETHYLSTILBESTROL	A,B	1TT6	0.72
DES	DIETHYLSTILBESTROL	A,B,C,D	1TZ8	0.72
TTB	4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID	A	1XAP	0.74
1OH	4-(1-methyl-1-phenylethyl)phenol	A	2ZAS	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	0.75
555	4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME	A,B	2NV7	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	0.74
BPZ	4,4'-cyclohexane-1,1-diyldiphenol	A	2ZKC	0.74
ETC	(R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL	A,B	1L2I	0.75
ETC	(R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL	A,B	1L2J	0.75
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	I	4ER1	0.73
BNA	BIS-(NAPHTHYL-1-METHYL) ACETIC ACID	A	1FQ5	0.73
NDH	(1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE	A,B	1O7P	0.7
196	3-(3-FLUORO-4-HYDROXYPHENYL)-7- HYDROXY-1-NAPHTHONITRILE	A,B	1YYE	0.73
12M	(2-ETHYLPHENYL)METHANOL	A,B	2F62	0.71
369	5-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)- 7-methylnaphthalen-2-ol	A,B	3DT3	0.73
BPA	7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE	A	1JDG	0.85
2DM	2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATE	A,B	1S88	0.74
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	0.73
PYP	2'-DEOXYRIBOFURANOSYLPYRENE-5'- MONOPHOSPHATE	A,B	1FZS	0.72
PYP	2'-DEOXYRIBOFURANOSYLPYRENE-5'- MONOPHOSPHATE	A,B	1FZL	0.72
NDD	2,6-DICARBOXYNAPHTHALENE	A	1U4O	0.7
NDD	2,6-DICARBOXYNAPHTHALENE	A,B,C,D	1HAC	0.7
DIN	1,6-DIHYDROXY NAPHTHALENE	A	1ZB6	0.71
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1DL4	0.83
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1I7V	0.83
BZA	1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1QBY	0.83
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	2ROU	0.83
BPJ	(1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	1HX4	0.83
BZR	1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL	A	1MXJ	0.83
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A,P,T	2I9G	0.83
BPI	(1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL	A	1HWV	0.83
2NA	naphthalen-2-ylmethanol	A,B,C	3EE5	0.79
4NA	1-CHLORO-6-(4-HYDROXYPHENYL)-2- NAPHTHOL	A,B	1YY4	0.71
I59	HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID	A	1O4G	0.72
OX1		H,Y	1LO2	0.77
1NP	1-NAPHTHOL	X	2ZVQ	0.72
DRQ	(9ALPHA,13BETA,17BETA)-2-[(1Z)- BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE- 3,17-DIOL	A,B	2G5O	0.71
TBT	8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE- 8,9,10-TRIOL	A	1DJD	0.83
TN1	5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL	A	1YSG	0.71
EQU	EQUILENIN	A,B	1OGX	0.71
EQU	EQUILENIN	A,B,C,D,E,F	1QJG	0.71
EQU	EQUILENIN	A,B	1OH0	0.71
EQU	EQUILENIN	A	1W6Y	0.71
EQU	EQUILENIN	A,B	1CQS	0.71
EQU	EQUILENIN	A	1OGZ	0.71
EQU	EQUILENIN	A	1GS3	0.71
EQU	EQUILENIN	A	1OHO	0.71
HXS	4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol	A,B	3CV6	0.74
LJ1	2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol	A,B	3CN0	0.72
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2E2R	0.72
2OH	4,4'-PROPANE-2,2-DIYLDIPHENOL	A	2P7G	0.72
AN1	3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID	H,Y	1LO3	0.74