Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00011208
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 |
PYG | BENZENE-1,2,3-TRIOL | A,B,C,D,E,F, G,H,I,J,K,L | 1TI4 | 0.71 | |
PYG | BENZENE-1,2,3-TRIOL | M,N,O,P,Q,R, S,T,U,V,W,X | 1VLE | 0.71 | |
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 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.71 | |
FPN | 4-FLUOROPHENOL | A,B | 1XVD | 0.76 | |
BPM | 4-PHOSPHONOOXY-PHENYL-METHYL-[4- PHOSPHONOOXY]BENZEN | A | 1AAX | 0.86 | |
HE1 | 4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACID | A,B | 1C8V | 0.74 | |
HE1 | 4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACID | A,B | 1C29 | 0.74 | |
B4N | bis(4-nitrophenyl) hydrogen phosphate | A | 3DH8 | 0.71 | |
4BR | 2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE | A | 1PE7 | 0.7 | |
BPZ | 4,4'-cyclohexane-1,1-diyldiphenol | A | 2ZKC | 0.7 | |
INK | (RP,SP)-O-(2R)-(1-PHENOXYBUT-2- YL)-METHYLPHOSPHONIC ACID CHLORIDE | A | 1HQD | 0.74 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.71 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.71 | |
EPL | DIETHYL 4-METHOXYPHENYL PHOSPHATE | A | 2R1N | 0.8 | |
LJ1 | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.71 | |
HF1 | 4-(2-HYDROXY-4-FLUOROPHENYLTHIO)- BUTYLPHOSPHONIC ACID | A,B | 1C9D | 0.72 | |
BP7 | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 0.7 | |
CAQ | CATECHOL | B | 2BUY | 0.76 | |
CAQ | CATECHOL | A | 1KND | 0.76 | |
CAQ | CATECHOL | B | 2BUQ | 0.76 | |
CAQ | CATECHOL | A,B | 1DLT | 0.76 | |
CAQ | CATECHOL | A | 1XEP | 0.76 | |
CAQ | CATECHOL | A | 2PUM | 0.76 | |
IOL | 4-IODOPHENOL | A,B | 1EWA | 0.76 | |
PSY | phenyl ethenesulfonate | A | 3BM8 | 0.77 | |
PSY | phenyl ethenesulfonate | A | 3BLT | 0.77 | |
PSN | BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE | A | 1O4K | 0.73 | |
TN1 | 5,6,7,8-TETRAHYDRONAPHTHALEN-1- OL | A | 1YSG | 0.7 | |
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 | |
GVF | BENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSPHATE)] | A | 2UVM | 0.78 | |
EPT | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.7 | |
2LP | 2-ALLYLPHENOL | A | 1OV5 | 0.73 | |
268 | 2-phenoxyethanol | A | 2RBR | 0.71 | |
IPH | PHENOL | A,B | 2OLD | 0.79 | |
IPH | PHENOL | A,B,C,D | 2PZV | 0.79 | |
IPH | PHENOL | A | 1LI2 | 0.79 | |
IPH | PHENOL | A | 2J9N | 0.79 | |
IPH | PHENOL | A,B,C,D | 2OMB | 0.79 | |
IPH | PHENOL | A | 1JHX | 0.79 | |
IPH | PHENOL | A,B,C,D | 2VE7 | 0.79 | |
IPH | PHENOL | B,D,E,G,H,J,L | 1AI0 | 0.79 | |
IPH | PHENOL | A,B,C,D | 1FOH | 0.79 | |
IPH | PHENOL | A | 1V03 | 0.79 | |
IPH | PHENOL | A,C,E,G,I,K | 5AIY | 0.79 | |
IPH | PHENOL | B,D,F,H,J,L | 1AIY | 0.79 | |
IPH | PHENOL | A,B | 1XU5 | 0.79 | |
IPH | PHENOL | A,B,C,D,E,G, I,K | 1W8P | 0.79 | |
IPH | PHENOL | A,C,E,G,I,K | 4AIY | 0.79 | |
IPH | PHENOL | A,B,C,D,E,F, G,H | 1XDA | 0.79 | |
IPH | PHENOL | A | 2AS3 | 0.79 | |
IPH | PHENOL | A,B,C,D | 1ZEG | 0.79 | |
IPH | PHENOL | A,B,C,D | 1PN0 | 0.79 | |
IPH | PHENOL | A,B,C,D | 1XW7 | 0.79 | |
IPH | PHENOL | A,C,E,G,I,K,M | 1QIY | 0.79 | |
IPH | PHENOL | A,B,C,D | 1Q4V | 0.79 | |
IPH | PHENOL | B | 1AI7 | 0.79 | |
IPH | PHENOL | A | 1FJW | 0.79 | |
IPH | PHENOL | B,C,D | 1RWE | 0.79 | |
IPH | PHENOL | A,B,C,D,E,G, H,I,K | 1ZNJ | 0.79 | |
IPH | PHENOL | B,C,D | 3GKY | 0.79 | |
IPH | PHENOL | A | 1JHY | 0.79 | |
IPH | PHENOL | A,C,E,G,I,K | 3AIY | 0.79 | |
IPH | PHENOL | A,B | 2OMN | 0.79 | |
IPH | PHENOL | A,C,E,G,I,K | 2AIY | 0.79 | |
IPH | PHENOL | A,B,D | 1MPJ | 0.79 | |
IPH | PHENOL | A,B,C,D,F,G, H,J | 1WAV | 0.79 | |
IPH | PHENOL | B,C,D | 1LPH | 0.79 | |
PCR | P-CRESOL | A | 1JHV | 0.72 | |
PCR | P-CRESOL | A | 1JHU | 0.72 | |
PCR | P-CRESOL | A,B,C,D | 1DIQ | 0.72 | |
HTS | 2-MERCAPTOPHENOL | A | 2OSM | 0.71 | |
3FA | 3-FLUOROBENZENE-1,2-DIOL | A | 2AS4 | 0.73 | |
219 | CYCLOHEXYLMETHYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE | A | 1O4I | 0.7 | |
3CH | 3-CHLOROPHENOL | A | 1LI3 | 0.7 | |
FP2 | 2-fluorophenol | A | 3CPO | 0.76 | |
RCO | RESORCINOL | A,B,C,E,F,G, H,I,J,K | 2OLY | 0.75 | |
RCO | RESORCINOL | 1,3,A,B,C,D, E,G,H,I,K,Q, R,S,T,U,X,Y | 2OM1 | 0.75 | |
RCO | RESORCINOL | A,B,C,E,G,H, I,K | 2OLZ | 0.75 | |
RCO | RESORCINOL | A,B,C,D,E,F | 2OMH | 0.75 | |
RCO | RESORCINOL | A,B,C,E,G,H, I,J,K | 2OMI | 0.75 | |
RCO | RESORCINOL | A,B,C,D,E,G, I,J,K | 1EVR | 0.75 | |
RCO | RESORCINOL | A,C,E,G,I,K,M | 1QIZ | 0.75 | |
RCO | RESORCINOL | 1,3,A,B,C,D, E,G,H,I,K,Q, R,S,U,X,Y | 2OM0 | 0.75 | |
FFP | 2,6-DIFLUOROPHENOL | A | 2INX | 0.74 | |
1OH | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.7 | |
2BR | 2-BROMOPHENOL | A,B,C,D | 2A9W | 0.7 | |
ETY | 4-ethylphenol | A,B,C,D | 2RA6 | 0.73 | |
STL | RESVERATROL | A,B | 3CKL | 0.72 | |
STL | RESVERATROL | A,B,C,D | 1U0W | 0.72 | |
STL | RESVERATROL | A | 1CGZ | 0.72 | |
STL | RESVERATROL | A,B,C,D,E,F, G,H,I,J,K,L, M,N | 2JIZ | 0.72 | |
STL | RESVERATROL | A | 1Z1F | 0.72 | |
STL | RESVERATROL | A | 1DVS | 0.72 | |
STL | RESVERATROL | A,B | 1SG0 | 0.72 | |
POT | (1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE | A | 2NW6 | 0.74 | |
BML | 4-BROMOPHENOL | A,B,E | 3DHH | 0.7 | |
BML | 4-BROMOPHENOL | A,B | 1XU3 | 0.7 | |
BML | 4-BROMOPHENOL | A,B | 1T0S | 0.7 | |
HPS | PHENYL DIHYDROGEN PHOSPHATE | A | 1O4O | 0.94 | |
TTO | (3,4-DIHYDROXY-PHENYL)-TRIPHENYL- ARSONIUM | A | 1HYZ | 0.74 | |
HSP | 4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACID | A,B | 1CW2 | 0.72 | |
CRS | M-CRESOL | A,B,C,D | 1EV3 | 0.71 | |
CRS | M-CRESOL | A,B,C,D,E,F | 2OMG | 0.71 | |
CRS | M-CRESOL | A,B | 1UZ9 | 0.71 | |
CRS | M-CRESOL | A,B,C,D | 1ZEH | 0.71 | |
CRS | M-CRESOL | A,B,C,D,E,F | 1ZEI | 0.71 | |
CRS | M-CRESOL | A,C,D,E | 7INS | 0.71 | |
CRS | M-CRESOL | A,B,C,D,E,G, I,K | 1EV6 | 0.71 |