Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03443938
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 |
ANF![]() | ANTHRONE | H | 2BJM | 0.78 | ![]() |
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 | ![]() |
FFD![]() | (1R)-1,4-anhydro-2-deoxy-1-(3-fluorophenyl)- 5-O-phosphono-D-erythro-pentitol | A,B,C,D,E,F, G,H,I,J,K,L | 2PIS | 0.7 | ![]() |
NDH![]() | (1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE | A,B | 1O7P | 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 | ![]() |
NDD![]() | 2,6-DICARBOXYNAPHTHALENE | A | 1U4O | 0.76 | ![]() |
NDD![]() | 2,6-DICARBOXYNAPHTHALENE | A,B,C,D | 1HAC | 0.76 | ![]() |
2NA![]() | naphthalen-2-ylmethanol | A,B,C | 3EE5 | 0.86 | ![]() |
BPZ![]() | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.72 | ![]() |
PYP![]() | 2'-DEOXYRIBOFURANOSYLPYRENE-5'- MONOPHOSPHATE | A,B | 1FZS | 0.79 | ![]() |
PYP![]() | 2'-DEOXYRIBOFURANOSYLPYRENE-5'- MONOPHOSPHATE | A,B | 1FZL | 0.79 | ![]() |
564![]() | 6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCY | 0.72 | ![]() |
184![]() | 6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCX | 0.72 | ![]() |
BPA![]() | 7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE | A | 1JDG | 0.78 | ![]() |
1NH![]() | (2E,6E)-8-[(3-BENZOYLBENZYL)OXY]- 3,7-DIMETHYLOCTA-2,6-DIENYL TRIHYDROGEN DIPHOSPHATE | B | 1O1S | 0.7 | ![]() |
ETC![]() | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2I | 0.73 | ![]() |
ETC![]() | (R,R)-5,11-CIS-DIETHYL-5,6,11,12- TETRAHYDROCHRYSENE-2,8-DIOL | A,B | 1L2J | 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 | ![]() |
SS1![]() | 1-PHENYLETHANOL | H | 1UM5 | 0.74 | ![]() |
2HR![]() | HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS1 | 0.73 | ![]() |
PYY![]() | D-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATE | A | 1G2J | 0.72 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1AXV | 0.78 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,E | 2IBK | 0.78 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,B,C,D,E,F | 2IA6 | 0.78 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1Y9H | 0.78 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1FYY | 0.78 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1AXO | 0.78 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1DXA | 0.78 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1AXL | 0.78 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,B,D,E,F | 1S0M | 0.78 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1BPS | 0.78 | ![]() |
BAP![]() | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,C | 1XC9 | 0.78 | ![]() |
DIN![]() | 1,6-DIHYDROXY NAPHTHALENE | A | 1ZB6 | 0.75 | ![]() |
NF2![]() | (1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO- 5-METHYLPHENYL)-5-O-PHOSPHONO-D- RIBITOL | A,B | 2G92 | 0.7 | ![]() |
NF2![]() | (1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO- 5-METHYLPHENYL)-5-O-PHOSPHONO-D- RIBITOL | A,B,C,D | 2Q1O | 0.7 | ![]() |
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 | ![]() |
BPM![]() | 4-PHOSPHONOOXY-PHENYL-METHYL-[4- PHOSPHONOOXY]BENZEN | A | 1AAX | 0.75 | ![]() |
BP7![]() | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 0.7 | ![]() |
2HS![]() | HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS2 | 0.73 | ![]() |
12M![]() | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.76 | ![]() |
TBC![]() | (9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE | A | 1N8C | 0.76 | ![]() |
EQU![]() | EQUILENIN | A,B | 1OGX | 0.7 | ![]() |
EQU![]() | EQUILENIN | A,B,C,D,E,F | 1QJG | 0.7 | ![]() |
EQU![]() | EQUILENIN | A,B | 1OH0 | 0.7 | ![]() |
EQU![]() | EQUILENIN | A | 1W6Y | 0.7 | ![]() |
EQU![]() | EQUILENIN | A,B | 1CQS | 0.7 | ![]() |
EQU![]() | EQUILENIN | A | 1OGZ | 0.7 | ![]() |
EQU![]() | EQUILENIN | A | 1GS3 | 0.7 | ![]() |
EQU![]() | EQUILENIN | A | 1OHO | 0.7 | ![]() |
1NP![]() | 1-NAPHTHOL | X | 2ZVQ | 0.76 | ![]() |
EPT![]() | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.7 | ![]() |
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 | ![]() |
B76![]() | A,B | 2E9D | 0.7 | ![]() | |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.75 | ![]() |
2OH![]() | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.75 | ![]() |
LJ1![]() | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.73 | ![]() |
2DM![]() | 2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATE | A,B | 1S88 | 0.81 | ![]() |
LYL![]() | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.71 | ![]() |
196![]() | 3-(3-FLUORO-4-HYDROXYPHENYL)-7- HYDROXY-1-NAPHTHONITRILE | A,B | 1YYE | 0.71 | ![]() |
NLA![]() | NAPHTHALEN-1-YL-ACETIC ACID | A,B,C,D | 1LRH | 0.73 | ![]() |
NLA![]() | NAPHTHALEN-1-YL-ACETIC ACID | B | 2P1O | 0.73 | ![]() |
TBT![]() | 8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE- 8,9,10-TRIOL | A | 1DJD | 0.79 | ![]() |
SRL![]() | [2-(3,5-DI-TERT-BUTYL-4-HYDROXY- PHENYL)-1-(DIETHOXY-PHOSPHORYL)- VINYL]-PHOSPHONIC ACID DIETHLYL ESTER | A | 1ILH | 0.77 | ![]() |
SRL![]() | [2-(3,5-DI-TERT-BUTYL-4-HYDROXY- PHENYL)-1-(DIETHOXY-PHOSPHORYL)- VINYL]-PHOSPHONIC ACID DIETHLYL ESTER | A,B | 1NRL | 0.77 | ![]() |
1OH![]() | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.74 | ![]() |
B28![]() | A,B | 2E9A | 0.83 | ![]() | |
D1N![]() | NAPHTHALENE-1,2-DIOL | A | 2EI1 | 0.73 | ![]() |
AN1![]() | 3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID | H,Y | 1LO3 | 0.72 | ![]() |
PIC![]() | 6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE- 2-CARBOXYLIC ACID | A | 1BZJ | 0.78 | ![]() |
IPB![]() | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 0.71 | ![]() |
B08![]() | A,B | 2E99 | 0.82 | ![]() | |
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 | ![]() |
HXS![]() | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.75 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.74 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.74 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.74 | ![]() |
I59![]() | HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID | A | 1O4G | 0.91 | ![]() |
BZA![]() | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1DL4 | 0.79 | ![]() |
BZA![]() | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1I7V | 0.79 | ![]() |
BZA![]() | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1QBY | 0.79 | ![]() |
17M![]() | 17-METHYL-17-ALPHA-DIHYDROEQUILENIN | A,B | 2B1Z | 0.74 | ![]() |
DFT![]() | 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE | A | 1BW7 | 0.71 | ![]() |
DFT![]() | 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE | A,T | 2VA3 | 0.71 | ![]() |
DFT![]() | 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE | A,B,D,F | 2V9W | 0.71 | ![]() |
DFT![]() | 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE | A,B,D,E,F | 2VA2 | 0.71 | ![]() |
DFT![]() | 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE | 1,2 | 1EEK | 0.71 | ![]() |
BPJ![]() | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 2ROU | 0.79 | ![]() |
BPJ![]() | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 1HX4 | 0.79 | ![]() |
BZR![]() | 1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1MXJ | 0.79 | ![]() |
FNP![]() | {[7-(DIFLUORO-PHOSPHONO-METHYL)- NAPHTHALEN-2-YL]-DIFLUORO-METHYL}- PHOSPHONIC ACID | A | 1KAK | 0.74 | ![]() |
BPI![]() | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A,P,T | 2I9G | 0.79 | ![]() |
BPI![]() | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 1HWV | 0.79 | ![]() |
PFL![]() | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.72 | ![]() |
OX1![]() | H,Y | 1LO2 | 0.7 | ![]() |