Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03515040
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
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 |
17M | 17-METHYL-17-ALPHA-DIHYDROEQUILENIN | A,B | 2B1Z | 0.81 | |
U03 | 4-HYDROXY-7-METHOXY-3-(1-PHENYL- PROPYL)-CHROMEN-2-ONE | A | 3UPJ | 0.7 | |
OHP | (2-HYDROXYPHENYL)ACETIC ACID | A | 2INZ | 0.71 | |
NGV | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE | A,B,C,D | 2F98 | 0.77 | |
NGV | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE | A | 1SJW | 0.77 | |
789 | 3-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)- 1H-INDEN-1-ONE | A,B | 1ZAF | 0.76 | |
369 | 5-(4-hydroxyphenoxy)-6-(3-hydroxyphenyl)- 7-methylnaphthalen-2-ol | A,B | 3DT3 | 0.72 | |
AC6 | P-HYDROXYACETOPHENONE | A | 2GQ8 | 0.75 | |
AC6 | P-HYDROXYACETOPHENONE | X | 2O48 | 0.75 | |
5TN | (2E)-3-[4-HYDROXY-3-(5,5,8,8-TETRAMETHYL- 3-PROPOXY-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-YL)PHENYL]ACRYLIC ACID | A | 2P1V | 0.75 | |
4TN | (2E)-3-[3-(3-ETHOXY-5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)-4-HYDROXYPHENYL]ACRYLIC ACID | A | 2P1U | 0.75 | |
3HP | 3-HYDROXYPHENYLACETATE | M,N,O,P,Q,R | 3PCE | 0.71 | |
BPZ | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.77 | |
TNC | 4-DIMETHYLAMINO-1,10,11,12-TETRAHYDROXY- 3-OXO-3,4,4A,5-TETRAHYDRO-NAPHTHACENE- 2-CARBOXYLIC ACID AMIDE | A,B | 1N5Q | 0.75 | |
DIN | 1,6-DIHYDROXY NAPHTHALENE | A | 1ZB6 | 0.78 | |
4HP | 4-HYDROXYPHENYLACETATE | A,B,C,D | 2JBT | 0.72 | |
4HP | 4-HYDROXYPHENYLACETATE | A | 2YYJ | 0.72 | |
4HP | 4-HYDROXYPHENYLACETATE | A | 2YYM | 0.72 | |
4HP | 4-HYDROXYPHENYLACETATE | B | 1AI6 | 0.72 | |
4HP | 4-HYDROXYPHENYLACETATE | M,N,O,P,Q,R | 3PCG | 0.72 | |
EYK | 2-tert-butylbenzene-1,4-diol | D,F | 3EYM | 0.73 | |
EYK | 2-tert-butylbenzene-1,4-diol | B | 3EYK | 0.73 | |
TN1 | 5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL | A | 1YSG | 0.75 | |
TOH | (3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID | A | 2IME | 0.7 | |
TOH | (3E)-4-(2-HYDROXYPHENYL)-2-OXOBUT- 3-ENOIC ACID | A | 2IMD | 0.7 | |
254 | 6-[HYDROXYIMINO-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID | A | 1FD0 | 0.72 | |
BPY | BIPHENYL-2,3-DIOL | A | 1KMY | 0.72 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW8 | 0.72 | |
BPY | BIPHENYL-2,3-DIOL | A | 2EI3 | 0.72 | |
BPY | BIPHENYL-2,3-DIOL | A | 1EIR | 0.72 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW6 | 0.72 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KWC | 0.72 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW9 | 0.72 | |
EED | (9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)- 11-(METHOXYMETHYL)ESTRA-1(10),2,4- TRIENE-3,17-DIOL | A,B | 2QGT | 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 | 0.77 | |
FHI | A,B | 1Y1D | 0.71 | ||
OAC | TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE | C | 3GCH | 0.73 | |
NOM | 7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO- 1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE- 2,6,11-TRIONE | A | 1N5V | 0.71 | |
CPH | 1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE | A,B | 1D83 | 0.76 | |
CPH | 1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE | A,B | 1EKH | 0.76 | |
CPH | 1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE | A,B | 1EKI | 0.76 | |
CPH | 1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE | A,B,C,D | 1VAQ | 0.76 | |
ANF | ANTHRONE | H | 2BJM | 0.77 | |
MUF | (8alpha,10alpha,13alpha,17beta)- 17-[(4-hydroxyphenyl)carbonyl]androsta- 3,5-diene-3-carboxylic acid | A,B | 3BEJ | 0.83 | |
3TN | (2E)-3-[4-HYDROXY-3-(3-METHOXY- 5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN- 2-YL)PHENYL]ACRYLIC ACID | A | 2P1T | 0.78 | |
1OH | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.76 | |
BIK | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5A | 0.8 | |
BIK | 3,7-DIHYDROXY-2-NAPHTHOIC ACID | A | 1U5C | 0.8 | |
ETC | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2I | 0.85 | |
ETC | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2J | 0.85 | |
BHF | 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE | A | 2HI4 | 0.73 | |
AKV | {3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE | A,B,C,D | 2F99 | 0.75 | |
JUG | 5-hydroxynaphthalene-1,4-dione | A,B,C,D,E,F | 3B7J | 0.8 | |
ADL | (1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID | A,B | 1N5S | 0.78 | |
R12 | 9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)- 3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID | A | 3CBS | 0.78 | |
DXB | 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYDROXY-7-METHYL-ANTHRACENE | A,B | 1BP8 | 0.74 | |
196 | 3-(3-FLUORO-4-HYDROXYPHENYL)-7- HYDROXY-1-NAPHTHONITRILE | A,B | 1YYE | 0.73 | |
BP7 | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 0.72 | |
BVL | (2E)-1-[2-hydroxy-4-methoxy-5-(3- methylbut-2-en-1-yl)phenyl]-3-(4- hydroxyphenyl)prop-2-en-1-one | A | 2ZBH | 0.71 | |
EZT | (17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA- 1(10),2,4-TRIENE-3,17-DIOL | A,B | 2P15 | 0.77 | |
ZCT | A,B,C,D,E,F, G,H | 3B6A | 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 | 0.77 | |
HPP | HYDROXYPHENYL PROPIONIC ACID | A,B | 2TPL | 0.73 | |
HPP | HYDROXYPHENYL PROPIONIC ACID | A,B,C,D | 3GGP | 0.73 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.74 | |
DES | DIETHYLSTILBESTROL | A,B | 3ERD | 0.74 | |
DES | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.74 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.74 | |
D1N | NAPHTHALENE-1,2-DIOL | A | 2EI1 | 0.76 | |
IPB | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 0.72 | |
1FL | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID | A,B | 2BXE | 0.74 | |
1FL | 5-(2,4-DIFLUOROPHENYL)-2-HYDROXY- BENZOIC ACID | A,B | 3D2T | 0.74 | |
EPT | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.7 | |
4NA | 1-CHLORO-6-(4-HYDROXYPHENYL)-2- NAPHTHOL | A,B | 1YY4 | 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 | 0.77 | |
DXA | 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYDROXY-7-(SEC-BUTYL)-ANTHRACENE | A,B | 1CP8 | 0.74 | |
RWF | R-WARFARIN | A,B | 2BXD | 0.72 | |
CRH | 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYROXY-7-METHYLANTHRACENE | A,B | 146D | 0.74 | |
CRH | 1,2-HYDRO-1-OXY-3,4-HYDRO-3-(1- METHOXY-2-OXY-3,4-DIHYDROXYPENTYL)- 8,9-DIHYROXY-7-METHYLANTHRACENE | A,B | 207D | 0.74 | |
E3O | (16ALPHA,17ALPHA)-ESTRA-1,3,5(10)- TRIENE-3,16,17-TRIOL | A | 2J7Y | 0.75 | |
AN1 | 3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID | H,Y | 1LO3 | 0.7 | |
AOE | N-BUTYL-11-[(7R,8R,9S,13S,14S,17S)- 3,17-DIHYDROXY-13-METHYL-7,8,9,11,12,13,14,15,16,17- DECAHYDRO-6H-CYCLOPENTA[A]PHENANTHREN- 7-YL]-N-METHYLUNDECANAMIDE | A | 1HJ1 | 0.72 | |
BNA | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | I | 4ER1 | 0.71 | |
BNA | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | A | 1FQ5 | 0.71 | |
ESL | ESTRIOL | A | 1X8V | 0.75 | |
156 | 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID | A | 1FCZ | 0.79 | |
ECS | 2,3,17BETA-TRIHYDROXY-1,3,5(10)- ESTRATRIENE | A,B,C,D | 2BW7 | 0.73 | |
ESO | O3-PHOSPHONOESTRONE | B,C | 1ESS | 0.78 | |
ENO | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | H,I | 1A2C | 0.71 | |
ENO | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | A,B,C | 1CA7 | 0.71 | |
ENO | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | A,B,C,D | 3GGO | 0.71 | |
SDN | [(3S)-9-hydroxy-1-methyl-10-oxo- 4,10-dihydro-3H-benzo[g]isochromen- 3-yl]acetic acid | A,B | 3B6C | 0.74 | |
DBE | bis(4-hydroxyphenyl)methanone | A | 2VKU | 0.78 | |
EST | ESTRADIOL | A,B | 1GWR | 0.76 | |
EST | ESTRADIOL | A | 1FDS | 0.76 | |
EST | ESTRADIOL | A,B,C | 1G50 | 0.76 | |
EST | ESTRADIOL | A,B,C,D,E,F | 1ERE | 0.76 | |
EST | ESTRADIOL | A,B | 1A52 | 0.76 | |
EST | ESTRADIOL | A | 1FDT | 0.76 | |
EST | ESTRADIOL | A | 2OCF | 0.76 | |
EST | ESTRADIOL | A,B,C | 1QKU | 0.76 | |
EST | ESTRADIOL | A,B,C,D,L | 1E6W | 0.76 | |
EST | ESTRADIOL | A | 1IOL | 0.76 | |
EST | ESTRADIOL | H | 1JNN | 0.76 | |
EST | ESTRADIOL | B | 1QKT | 0.76 | |
EST | ESTRADIOL | A | 1FDW | 0.76 | |
EST | ESTRADIOL | A,B | 1AQU | 0.76 | |
EST | ESTRADIOL | A | 1LHU | 0.76 | |
EST | ESTRADIOL | A | 1A27 | 0.76 | |
EST | ESTRADIOL | L | 1JGL | 0.76 | |
EST | ESTRADIOL | A,B,E,F | 1PCG | 0.76 | |
EST | ESTRADIOL | A,B,C,D | 1FDU | 0.76 | |
EST | ESTRADIOL | A | 2J7X | 0.76 | |
EST | ESTRADIOL | A,B | 2D06 | 0.76 | |
3HB | 3-HYDROXYBENZOIC ACID | M,N,O,P,Q,R | 3PCB | 0.71 | |
3HB | 3-HYDROXYBENZOIC ACID | A | 2DKH | 0.71 | |
FDS | FLUORESCIN | H | 4FAB | 0.72 | |
AFI | 2-[4-(4-CHLOROPHENYL)CYCLOHEXYLIDENE]- 3,4-DIHYDROXY-1(2H)-NAPHTHALENONE | A,B | 1UUM | 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 | 0.84 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.77 | |
LJ1 | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.74 | |
2MP | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.71 | |
ODE | DIETHYL (1R,2S,3R,4S)-5,6-BIS(4- HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT- 5-ENE-2,3-DICARBOXYLATE | A,B | 2QH6 | 0.73 | |
SWF | S-WARFARIN | A,B | 1OG5 | 0.72 | |
HE7 | 4-{[(14beta,17alpha)-3-hydroxyestra- 1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid | A,B,C,D | 2Z77 | 0.76 | |
HCC | 2',4,4'-TRIHYDROXYCHALCONE | D | 1FP1 | 0.72 | |
FLU | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | L | 1FLR | 0.72 | |
FLU | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | A,B | 1N0S | 0.72 | |
FLU | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | C,L | 1T66 | 0.72 | |
FLU | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | A | 1X9Q | 0.72 | |
FLU | 2-(6-HYDROXY-3-OXO-3H-XANTHEN-9- YL)-BENZOIC ACID | A,D | 2NMV | 0.72 | |
EQI | EQUILIN | A,B | 1EQU | 0.87 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RH4 | 0.78 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 3CSD | 0.78 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHR | 0.78 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 1F0Q | 0.78 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3C13 | 0.78 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHC | 0.78 | |
EMO | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3BQC | 0.78 | |
1NP | 1-NAPHTHOL | X | 2ZVQ | 0.77 | |
FLV | FLAVIOLIN | A | 1ZDW | 0.74 | |
FLV | FLAVIOLIN | A | 1T93 | 0.74 | |
FLV | FLAVIOLIN | A | 2D09 | 0.74 | |
NPS | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | A | 2VDB | 0.77 | |
BHQ | 2,5-DITERT-BUTYLBENZENE-1,4-DIOL | A,B | 2AGV | 0.72 | |
FBR | (9aS)-4-bromo-9a-butyl-7-hydroxy- 1,2,9,9a-tetrahydro-3H-fluoren- 3-one | A | 2GIU | 0.8 | |
SDT | 3,4-dihydroxy-9,10-secoandrosta- 1(10),2,4-triene-9,17-dione | A,B | 2ZI8 | 0.79 | |
HZ3 | dimethyl (1R,4S)-5,6-bis(4-hydroxyphenyl)- 7-oxabicyclo[2.2.1]hepta-2,5-diene- 2,3-dicarboxylate | A,B | 2QR9 | 0.73 | |
NDD | 2,6-DICARBOXYNAPHTHALENE | A | 1U4O | 0.74 | |
NDD | 2,6-DICARBOXYNAPHTHALENE | A,B,C,D | 1HAC | 0.74 | |
AJA | (6AR,10AR)-3-(1,1-DIMETHYLHEPTYL)- 1-HYDROXY-6,6-DIMETHYL-6A,7,10,10A- TETRAHYDRO-6H-BENZO[C]CHROMENE- 9-CARBOXYLIC ACID | A,B,C,D | 2OM9 | 0.71 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.77 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.77 | |
555 | 4-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIME | A,B | 2NV7 | 0.71 | |
564 | 6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCY | 0.8 | |
PFL | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.72 | |
2HC | (2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACID | A,B | 1V5Z | 0.7 | |
EQU | EQUILENIN | A,B | 1OGX | 0.88 | |
EQU | EQUILENIN | A,B,C,D,E,F | 1QJG | 0.88 | |
EQU | EQUILENIN | A,B | 1OH0 | 0.88 | |
EQU | EQUILENIN | A | 1W6Y | 0.88 | |
EQU | EQUILENIN | A,B | 1CQS | 0.88 | |
EQU | EQUILENIN | A | 1OGZ | 0.88 | |
EQU | EQUILENIN | A | 1GS3 | 0.88 | |
EQU | EQUILENIN | A | 1OHO | 0.88 | |
G50 | 3-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN- 1-ONE | A,B | 2UXI | 0.72 | |
OAL | (1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID | B | 1N5T | 0.79 | |
OX1 | H,Y | 1LO2 | 0.7 |