Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02505033
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 |
BPJ | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 2ROU | 0.75 | |
BPJ | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 1HX4 | 0.75 | |
PYY | D-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATE | A | 1G2J | 0.92 | |
LYL | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.7 | |
BZA | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1DL4 | 0.75 | |
BZA | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1I7V | 0.75 | |
BZA | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1QBY | 0.75 | |
M07 | (5R,7R,8S,9S,10R)-7-(HYDROXYMETHYL)- 3-(4-METHOXYPHENYL)-1,6-DIOXA-2- AZASPIRO[4.5]DEC-2-ENE-8,9,10-TRIOL | A | 2QRG | 0.71 | |
OBZ | O-benzylhydroxylamine | A,B | 3DTH | 0.71 | |
OBZ | O-benzylhydroxylamine | A,B | 3DTG | 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 | 0.75 | |
S1A | SORAPHEN A | A,B | 3GID | 0.75 | |
S1A | SORAPHEN A | A,B,C | 1W96 | 0.75 | |
BPI | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A,P,T | 2I9G | 0.75 | |
BPI | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 1HWV | 0.75 | |
24B | (2,4-DIFLUOROPHENYL)METHANOL | A,B | 1QV6 | 0.73 | |
BZR | 1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1MXJ | 0.75 | |
TON | 2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOL | A,B | 1SEZ | 0.75 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1AXV | 0.74 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,E | 2IBK | 0.74 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,B,C,D,E,F | 2IA6 | 0.74 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1Y9H | 0.74 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1FYY | 0.74 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1AXO | 0.74 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1DXA | 0.74 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1AXL | 0.74 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,B,D,E,F | 1S0M | 0.74 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1BPS | 0.74 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,C | 1XC9 | 0.74 | |
EGC | 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3- TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}- ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)- ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL | A,B | 1JP3 | 0.73 | |
EGC | 2-(2-{2-[2-(2-{2-[2-(2-{2-[4-(1,1,3,3- TETRAMETHYL-BUTYL)-PHENOXY]-ETHOXY}- ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)- ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL | A | 2W22 | 0.73 | |
HFL | 5-(3,3-DIHYDROXYPROPENY)-3-METHOXY- BENZENE-1,2-DIOL | C,F | 1KYW | 0.7 | |
DBA | (2,6-DIMETHYL-PHENOXY)-ACETIC ACID | A,B | 1IDB | 0.71 | |
TF5 | 2-[(2',3',4'-TRIFLUOROBIPHENYL- 2-YL)OXY]ETHANOL | A,B | 2OP3 | 0.73 | |
BPA | 7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE | A | 1JDG | 0.74 | |
SMN | (S)-MANDELIC ACID | A | 1MDL | 0.74 | |
341 | (3,5-difluorophenyl)methanol | C | 3EON | 0.72 | |
2NA | naphthalen-2-ylmethanol | A,B,C | 3EE5 | 0.73 | |
269 | (1R)-3-chloro-1-phenylpropan-1- ol | A | 2RBS | 0.76 | |
OXN | OXTOXYNOL-10 | A | 1IKT | 0.73 | |
OXN | OXTOXYNOL-10 | A,B | 2Q32 | 0.73 | |
OXN | OXTOXYNOL-10 | A,B | 1UEH | 0.73 | |
OXN | OXTOXYNOL-10 | A,B | 2D4Q | 0.73 | |
NF2 | (1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO- 5-METHYLPHENYL)-5-O-PHOSPHONO-D- RIBITOL | A,B | 2G92 | 0.86 | |
NF2 | (1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO- 5-METHYLPHENYL)-5-O-PHOSPHONO-D- RIBITOL | A,B,C,D | 2Q1O | 0.86 | |
2DM | 2-HYDROXY-3-(PYREN-1-YLMETHOXY)PROPYL DIHYDROGEN PHOSPHATE | A,B | 1S88 | 0.74 | |
DFT | 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE | A | 1BW7 | 0.86 | |
DFT | 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE | A,T | 2VA3 | 0.86 | |
DFT | 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE | A,B,D,F | 2V9W | 0.86 | |
DFT | 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE | A,B,D,E,F | 2VA2 | 0.86 | |
DFT | 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE | 1,2 | 1EEK | 0.86 | |
TBT | 8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE- 8,9,10-TRIOL | A | 1DJD | 0.75 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0D | 0.76 | |
PEL | 2-PHENYL-ETHANOL | D,H | 2I0T | 0.76 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1HZY | 0.76 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0B | 0.76 | |
PEL | 2-PHENYL-ETHANOL | A | 1EYW | 0.76 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1JGM | 0.76 | |
BGG | CARBONIC ACID MONOBENZYL ESTER | B,D | 1DLK | 0.78 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.8 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.8 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.8 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | 0,1,3,4,5,9, A,B,C,H,J,K, L,M,N,O,Q,R, S,T,U,Y,Z | 1VQ6 | 0.72 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A,B | 1C1X | 0.72 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | 0,1,3,4,9,A, B,C,D,F,H,J, K,L,M,N,O,Q, R,S,T,U,Y,Z | 1VQP | 0.72 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | 0,1,2,3,4,5, 9,A,B,C,D,F, H,J,K,L,M,N, O,Q,R,S,T,U, Y,Z | 1VQN | 0.72 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1QRP | 0.72 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A | 2CTC | 0.72 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E82 | 0.72 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E81 | 0.72 | |
DHR | (2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILE | A,B | 1E55 | 0.72 | |
DFB | 2,3-DIFLUOROBENZYL ALCOHOL | A,B | 1QV7 | 0.73 | |
DFB | 2,3-DIFLUOROBENZYL ALCOHOL | A,B,C,D | 1MG0 | 0.73 | |
RMN | (R)-MANDELIC ACID | A | 1MDL | 0.74 | |
RMN | (R)-MANDELIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1MCZ | 0.74 | |
PPP | 3-PHENYL-1,2-PROPANDIOL | A,B | 1HRN | 0.81 | |
295 | (2S,3S)-3-(4-fluorophenyl)-2,3- dihydroxypropanoic acid | A,B | 2RJR | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 2F4O | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KJO | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CDR | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C1E | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 5PAD | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | E,F | 1JXQ | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 2CNO | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1CGL | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZ9 | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2K | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 2CNL | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KJP | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2M | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZB | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 9HVP | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1ESB | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | E,F | 1DY8 | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 1PPM | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 1GEC | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KS7 | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | C | 1A8G | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KKK | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | T,U,V,W,X,Y | 1QDU | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 4TMN | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 5TMN | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KTO | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A,C | 1TG1 | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZ8 | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 2G58 | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | Q,R,S,T,U,V | 1F9E | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CJY | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 1E8M | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KR6 | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 6TMN | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KRO | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CNN | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2O | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1SQZ | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1THE | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I,J | 2AZC | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 5EST | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CNK | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KL6 | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 6PAD | 0.76 | |
PHQ | FORMIC ACID BENZYL ESTER | B,I | 2C2Z | 0.76 | |
EGT | 2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN- 3,5,7-TRIOL | A | 1JNQ | 0.7 | |
RSO | R-STYRENE OXIDE | A,B | 1PWZ | 0.8 | |
BAD | (1S)-2-amino-1-phenylethyl 6-O- beta-L-glucopyranosyl-alpha-D-mannopyranoside | A | 2QJE | 0.72 | |
DR6 | ALPHA-[4-(1,1,3,3 - TETRAMETHYLBUTYL)PHENYL]- OMEGA-HYDROXY-POLY(OXY-1,2-ETHANEDIYL) | C,I,T | 1YTZ | 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 | 0.73 | |
M08 | (5R,7R,8S,9S,10R)-7-(hydroxymethyl)- 3-phenyl-1,6-dioxa-2-azaspiro[4.5]dec- 2-ene-8,9,10-triol | A | 2QRH | 0.71 | |
689 | 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)- 6,8,9-TRIMETHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL | A,B | 1ZKY | 0.75 | |
458 | 4-[(1S,2S,5S)-5-(HYDROXYMETHYL)- 8-METHYL-3-OXABICYCLO[3.3.1]NON- 7-EN-2-YL]PHENOL | A,B | 2B1V | 0.74 | |
MXN | (2R)-hydroxy(phenyl)ethanenitrile | A,B | 3GDN | 0.75 | |
PYP | 2'-DEOXYRIBOFURANOSYLPYRENE-5'- MONOPHOSPHATE | A,B | 1FZS | 0.78 | |
PYP | 2'-DEOXYRIBOFURANOSYLPYRENE-5'- MONOPHOSPHATE | A,B | 1FZL | 0.78 | |
TRT | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.71 | |
TRT | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.71 | |
OPH | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPM | 0.73 | |
OPH | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPL | 0.73 | |
2PM | N-[2-(BENZHYDRYLOXY)ETHYL]-N,N- DIMETHYLAMINE | A,B | 2AOT | 0.71 | |
YR3 | (2S)-3-{4-[1-ethyl-1-(4-{[(2R)- 2-hydroxy-3,3-dimethylbutyl]oxy}- 3-methylphenyl)propyl]-2-methylphenoxy}propane- 1,2-diol | A | 2ZFX | 0.74 | |
2LP | 2-ALLYLPHENOL | A | 1OV5 | 0.7 | |
12M | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.77 | |
4FA | 4-FLUOROPHENETHYL ALCOHOL | A | 1OWZ | 0.73 | |
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 | 0.9 | |
IOB | 3-IODO-BENZYL ALCOHOL | A,B | 1QK0 | 0.73 | |
SS1 | 1-PHENYLETHANOL | H | 1UM5 | 0.8 | |
MNN | (S)-MANDELIC ACID NITRILE | A | 1YB6 | 0.75 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A | 2QU9 | 0.71 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1QLU | 0.71 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1J | 0.71 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 2VAO | 0.71 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1K | 0.71 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1DZN | 0.71 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1L | 0.71 | |
EUG | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1M | 0.71 | |
H53 | 2-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE- 3,4,5-TRIOL | A | 2FF5 | 0.81 | |
H53 | 2-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE- 3,4,5-TRIOL | A | 2FET | 0.81 | |
NDH | (1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE | A,B | 1O7P | 0.79 |