Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03520960
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 |
ADL![]() | (1,8-DIHYDROXY-9-OXO-9,10-DIHYDRO- ANTHRACEN-2-YL)-ACETIC ACID | A,B | 1N5S | 0.73 | ![]() |
3HP![]() | 3-HYDROXYPHENYLACETATE | M,N,O,P,Q,R | 3PCE | 0.71 | ![]() |
BPZ![]() | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.72 | ![]() |
E3G![]() | ESTRONE BETA-D-GLUCURONIDE | H,L | 1CFV | 0.75 | ![]() |
EQI![]() | EQUILIN | A,B | 1EQU | 0.84 | ![]() |
ETC![]() | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2I | 0.72 | ![]() |
ETC![]() | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2J | 0.72 | ![]() |
DHY![]() | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | M,N,O,P,Q,R | 3PCN | 0.72 | ![]() |
DHY![]() | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | B | 1AI4 | 0.72 | ![]() |
DHY![]() | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | A,B,C,D | 1Q0C | 0.72 | ![]() |
DHY![]() | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | A,B | 1F1V | 0.72 | ![]() |
ESO![]() | O3-PHOSPHONOESTRONE | B,C | 1ESS | 0.8 | ![]() |
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 | 0.73 | ![]() |
ECS![]() | 2,3,17BETA-TRIHYDROXY-1,3,5(10)- ESTRATRIENE | A,B,C,D | 2BW7 | 0.81 | ![]() |
OAC![]() | TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE | C | 3GCH | 0.72 | ![]() |
OAL![]() | (1,8-DIHYDROXY-9,10-DIOXO-9,10- DIHYDRO-ANTHRACEN-2-YL)-ACETIC ACID | B | 1N5T | 0.72 | ![]() |
EZT![]() | (17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA- 1(10),2,4-TRIENE-3,17-DIOL | A,B | 2P15 | 0.77 | ![]() |
AKV![]() | {3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE | A,B,C,D | 2F99 | 0.74 | ![]() |
NCZ![]() | 2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE- 1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY- CYCLOPENT-3-ENYL ESTER | A | 1J5I | 0.7 | ![]() |
SDN![]() | [(3S)-9-hydroxy-1-methyl-10-oxo- 4,10-dihydro-3H-benzo[g]isochromen- 3-yl]acetic acid | A,B | 3B6C | 0.71 | ![]() |
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 | 0.73 | ![]() |
DRQ![]() | (9ALPHA,13BETA,17BETA)-2-[(1Z)- BUT-1-EN-1-YL]ESTRA-1,3,5(10)-TRIENE- 3,17-DIOL | A,B | 2G5O | 0.8 | ![]() |
CPH![]() | 1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE | A,B | 1D83 | 0.72 | ![]() |
CPH![]() | 1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE | A,B | 1EKH | 0.72 | ![]() |
CPH![]() | 1,8-DIHYDROXY-7-METHYL-3-(1,3,4- TRIHYDROXY-2-OXO-PENTYL)-3,10-DIHYDRO- 2H-ANTHRACEN-9-ONE | A,B | 1EKI | 0.72 | ![]() |
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 | 0.72 | ![]() |
HHH![]() | (2S)-hydroxy(4-hydroxyphenyl)ethanoic acid | A,B | 2R5V | 0.72 | ![]() |
EQU![]() | EQUILENIN | A,B | 1OGX | 0.83 | ![]() |
EQU![]() | EQUILENIN | A,B,C,D,E,F | 1QJG | 0.83 | ![]() |
EQU![]() | EQUILENIN | A,B | 1OH0 | 0.83 | ![]() |
EQU![]() | EQUILENIN | A | 1W6Y | 0.83 | ![]() |
EQU![]() | EQUILENIN | A,B | 1CQS | 0.83 | ![]() |
EQU![]() | EQUILENIN | A | 1OGZ | 0.83 | ![]() |
EQU![]() | EQUILENIN | A | 1GS3 | 0.83 | ![]() |
EQU![]() | EQUILENIN | A | 1OHO | 0.83 | ![]() |
HXS![]() | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.7 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RH4 | 0.73 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 3CSD | 0.73 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHR | 0.73 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 1F0Q | 0.73 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3C13 | 0.73 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A,B | 2RHC | 0.73 | ![]() |
EMO![]() | 3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONE | A | 3BQC | 0.73 | ![]() |
MAX![]() | MATAIRESINOL | A | 2BGM | 0.72 | ![]() |
17M![]() | 17-METHYL-17-ALPHA-DIHYDROEQUILENIN | A,B | 2B1Z | 0.78 | ![]() |
DBE![]() | bis(4-hydroxyphenyl)methanone | A | 2VKU | 0.7 | ![]() |
EED![]() | (9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)- 11-(METHOXYMETHYL)ESTRA-1(10),2,4- TRIENE-3,17-DIOL | A,B | 2QGT | 0.82 | ![]() |
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 | 0.73 | ![]() |
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 | 0.73 | ![]() |
STG![]() | ESTRIOL 3-(B-D-GLUCURONIDE) | H | 2BFV | 0.73 | ![]() |
STG![]() | ESTRIOL 3-(B-D-GLUCURONIDE) | H,L | 1BFV | 0.73 | ![]() |
FBR![]() | (9aS)-4-bromo-9a-butyl-7-hydroxy- 1,2,9,9a-tetrahydro-3H-fluoren- 3-one | A | 2GIU | 0.76 | ![]() |
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 | 0.78 | ![]() |
ECO![]() | ESTRADIOL-6 CARBOXYL-METHYL-OXIME | B,D,F,H | 1JNH | 0.78 | ![]() |
E3O![]() | (16ALPHA,17ALPHA)-ESTRA-1,3,5(10)- TRIENE-3,16,17-TRIOL | A | 2J7Y | 0.84 | ![]() |
NOM![]() | 7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO- 1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE- 2,6,11-TRIONE | A | 1N5V | 0.7 | ![]() |
ENM![]() | (5S,8R,9S,10S,13R,14S,17S)-13-{2- [(3,5-DIFLUOROBENZYL)OXY]ETHYL}- 17-HYDROXY-10-METHYLHEXADECAHYDRO- 3H-CYCLOPENTA[A]PHENANTHREN-3-ONE | A | 2PNU | 0.71 | ![]() |
ESL![]() | ESTRIOL | A | 1X8V | 0.84 | ![]() |
SDT![]() | 3,4-dihydroxy-9,10-secoandrosta- 1(10),2,4-triene-9,17-dione | A,B | 2ZI8 | 0.82 | ![]() |
NGV![]() | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE | A,B,C,D | 2F98 | 0.71 | ![]() |
NGV![]() | METHYL 5,7-DIHYDROXY-2-METHYL-4,6,11- TRIOXO-3,4,6,11-TETRAHYDROTETRACENE- 1-CARBOXYLATE | A | 1SJW | 0.71 | ![]() |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.7 | ![]() |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.7 | ![]() |
OMD![]() | 2-(3,6-DIHYDROXYPHENYL)ACETIC ACID | A,B | 1AJP | 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 | 0.72 | ![]() |
R12![]() | 9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)- 3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID | A | 3CBS | 0.71 | ![]() |
459![]() | 4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)- 8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL | A,B | 2FAI | 0.71 | ![]() |
EST![]() | ESTRADIOL | A,B | 1GWR | 0.82 | ![]() |
EST![]() | ESTRADIOL | A | 1FDS | 0.82 | ![]() |
EST![]() | ESTRADIOL | A,B,C | 1G50 | 0.82 | ![]() |
EST![]() | ESTRADIOL | A,B,C,D,E,F | 1ERE | 0.82 | ![]() |
EST![]() | ESTRADIOL | A,B | 1A52 | 0.82 | ![]() |
EST![]() | ESTRADIOL | A | 1FDT | 0.82 | ![]() |
EST![]() | ESTRADIOL | A | 2OCF | 0.82 | ![]() |
EST![]() | ESTRADIOL | A,B,C | 1QKU | 0.82 | ![]() |
EST![]() | ESTRADIOL | A,B,C,D,L | 1E6W | 0.82 | ![]() |
EST![]() | ESTRADIOL | A | 1IOL | 0.82 | ![]() |
EST![]() | ESTRADIOL | H | 1JNN | 0.82 | ![]() |
EST![]() | ESTRADIOL | B | 1QKT | 0.82 | ![]() |
EST![]() | ESTRADIOL | A | 1FDW | 0.82 | ![]() |
EST![]() | ESTRADIOL | A,B | 1AQU | 0.82 | ![]() |
EST![]() | ESTRADIOL | A | 1LHU | 0.82 | ![]() |
EST![]() | ESTRADIOL | A | 1A27 | 0.82 | ![]() |
EST![]() | ESTRADIOL | L | 1JGL | 0.82 | ![]() |
EST![]() | ESTRADIOL | A,B,E,F | 1PCG | 0.82 | ![]() |
EST![]() | ESTRADIOL | A,B,C,D | 1FDU | 0.82 | ![]() |
EST![]() | ESTRADIOL | A | 2J7X | 0.82 | ![]() |
EST![]() | ESTRADIOL | A,B | 2D06 | 0.82 | ![]() |
HE7![]() | 4-{[(14beta,17alpha)-3-hydroxyestra- 1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid | A,B,C,D | 2Z77 | 0.83 | ![]() |
MUF![]() | (8alpha,10alpha,13alpha,17beta)- 17-[(4-hydroxyphenyl)carbonyl]androsta- 3,5-diene-3-carboxylic acid | A,B | 3BEJ | 0.77 | ![]() |
166![]() | 6-CARBAMIMIDOYL-2-[2-HYDROXY-6- (4-HYDROXY-PHENYL)-INDAN-1-YL]- HEXANOIC ACID | B,I | 1QJ1 | 0.71 | ![]() |
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 | 0.72 | ![]() |
T3O![]() | 4-[(1S,2R,5S)-4,4,8-TRIMETHYL-3- OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL | A,B | 2G44 | 0.7 | ![]() |
CIO![]() | CILOMILAST | A,B | 1XOM | 0.71 | ![]() |
CIO![]() | CILOMILAST | A,B | 1XLX | 0.71 | ![]() |
ESM![]() | 1,3,5(10)-ESTRATRIEN-2,3,17-BETA- TRIOL 2-METHYL ETHER | A | 1LHW | 0.75 | ![]() |