Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00050462
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 |
HPS![]() | PHENYL DIHYDROGEN PHOSPHATE | A | 1O4O | 0.85 | ![]() |
261![]() | 2-ethoxyphenol | X | 2RB1 | 0.77 | ![]() |
FPN![]() | 4-FLUOROPHENOL | A,B | 1XVD | 0.71 | ![]() |
B65![]() | (1R)-4-(3-phenoxyphenyl)-1-phosphonobutane- 1-sulfonic acid | A | 2ZCQ | 0.7 | ![]() |
TRT![]() | FRAGMENT OF TRITON X-100 | A,E | 2I0U | 0.7 | ![]() |
TRT![]() | FRAGMENT OF TRITON X-100 | A,B | 1OIZ | 0.7 | ![]() |
TOM![]() | 4-(2-METHOXYPHENYL)-2-OXOBUT-3- ENOIC ACID | A | 2IMF | 0.72 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A | 2QU9 | 0.72 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1QLU | 0.72 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1J | 0.72 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 2VAO | 0.72 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1K | 0.72 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1DZN | 0.72 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1L | 0.72 | ![]() |
EUG![]() | 2-METHOXY-4-VINYL-PHENOL | A,B | 1W1M | 0.72 | ![]() |
INK![]() | (RP,SP)-O-(2R)-(1-PHENOXYBUT-2- YL)-METHYLPHOSPHONIC ACID CHLORIDE | A | 1HQD | 0.86 | ![]() |
GVF![]() | BENZENE-1,2,3,4-TETRAYL TETRAKIS[DIHYDROGEN (PHOSPHATE)] | A | 2UVM | 0.72 | ![]() |
IPH![]() | PHENOL | A,B | 2OLD | 0.74 | ![]() |
IPH![]() | PHENOL | A,B,C,D | 2PZV | 0.74 | ![]() |
IPH![]() | PHENOL | A | 1LI2 | 0.74 | ![]() |
IPH![]() | PHENOL | A | 2J9N | 0.74 | ![]() |
IPH![]() | PHENOL | A,B,C,D | 2OMB | 0.74 | ![]() |
IPH![]() | PHENOL | A | 1JHX | 0.74 | ![]() |
IPH![]() | PHENOL | A,B,C,D | 2VE7 | 0.74 | ![]() |
IPH![]() | PHENOL | B,D,E,G,H,J,L | 1AI0 | 0.74 | ![]() |
IPH![]() | PHENOL | A,B,C,D | 1FOH | 0.74 | ![]() |
IPH![]() | PHENOL | A | 1V03 | 0.74 | ![]() |
IPH![]() | PHENOL | A,C,E,G,I,K | 5AIY | 0.74 | ![]() |
IPH![]() | PHENOL | B,D,F,H,J,L | 1AIY | 0.74 | ![]() |
IPH![]() | PHENOL | A,B | 1XU5 | 0.74 | ![]() |
IPH![]() | PHENOL | A,B,C,D,E,G, I,K | 1W8P | 0.74 | ![]() |
IPH![]() | PHENOL | A,C,E,G,I,K | 4AIY | 0.74 | ![]() |
IPH![]() | PHENOL | A,B,C,D,E,F, G,H | 1XDA | 0.74 | ![]() |
IPH![]() | PHENOL | A | 2AS3 | 0.74 | ![]() |
IPH![]() | PHENOL | A,B,C,D | 1ZEG | 0.74 | ![]() |
IPH![]() | PHENOL | A,B,C,D | 1PN0 | 0.74 | ![]() |
IPH![]() | PHENOL | A,B,C,D | 1XW7 | 0.74 | ![]() |
IPH![]() | PHENOL | A,C,E,G,I,K,M | 1QIY | 0.74 | ![]() |
IPH![]() | PHENOL | A,B,C,D | 1Q4V | 0.74 | ![]() |
IPH![]() | PHENOL | B | 1AI7 | 0.74 | ![]() |
IPH![]() | PHENOL | A | 1FJW | 0.74 | ![]() |
IPH![]() | PHENOL | B,C,D | 1RWE | 0.74 | ![]() |
IPH![]() | PHENOL | A,B,C,D,E,G, H,I,K | 1ZNJ | 0.74 | ![]() |
IPH![]() | PHENOL | B,C,D | 3GKY | 0.74 | ![]() |
IPH![]() | PHENOL | A | 1JHY | 0.74 | ![]() |
IPH![]() | PHENOL | A,C,E,G,I,K | 3AIY | 0.74 | ![]() |
IPH![]() | PHENOL | A,B | 2OMN | 0.74 | ![]() |
IPH![]() | PHENOL | A,C,E,G,I,K | 2AIY | 0.74 | ![]() |
IPH![]() | PHENOL | A,B,D | 1MPJ | 0.74 | ![]() |
IPH![]() | PHENOL | A,B,C,D,F,G, H,J | 1WAV | 0.74 | ![]() |
IPH![]() | PHENOL | B,C,D | 1LPH | 0.74 | ![]() |
4BR![]() | 2-(4-METHYLPHENOXY)ETHYLPHOSPHINATE | A | 1PE7 | 0.84 | ![]() |
CAQ![]() | CATECHOL | B | 2BUY | 0.71 | ![]() |
CAQ![]() | CATECHOL | A | 1KND | 0.71 | ![]() |
CAQ![]() | CATECHOL | B | 2BUQ | 0.71 | ![]() |
CAQ![]() | CATECHOL | A,B | 1DLT | 0.71 | ![]() |
CAQ![]() | CATECHOL | A | 1XEP | 0.71 | ![]() |
CAQ![]() | CATECHOL | A | 2PUM | 0.71 | ![]() |
MSB![]() | 1-METHYLOXY-4-SULFONE-BENZENE | A | 1EUB | 0.79 | ![]() |
MSB![]() | 1-METHYLOXY-4-SULFONE-BENZENE | A | 1BM6 | 0.79 | ![]() |
HE1![]() | 4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACID | A,B | 1C8V | 0.7 | ![]() |
HE1![]() | 4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACID | A,B | 1C29 | 0.7 | ![]() |
IOL![]() | 4-IODOPHENOL | A,B | 1EWA | 0.71 | ![]() |
258![]() | (2-chloroethoxy)benzene | X | 2RAY | 0.78 | ![]() |
268![]() | 2-phenoxyethanol | A | 2RBR | 0.81 | ![]() |
BPM![]() | 4-PHOSPHONOOXY-PHENYL-METHYL-[4- PHOSPHONOOXY]BENZEN | A | 1AAX | 0.71 | ![]() |
BOP![]() | 1-BROMO-4-METHOXYBENZENE | C,F | 1RHQ | 0.78 | ![]() |
POT![]() | (1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE | A | 2NW6 | 0.86 | ![]() |
EPL![]() | DIETHYL 4-METHOXYPHENYL PHOSPHATE | A | 2R1N | 0.91 | ![]() |
4HM![]() | 4-HYDROPEROXY-2-METHOXY-PHENOL | A | 1HU9 | 0.74 | ![]() |
FP2![]() | 2-fluorophenol | A | 3CPO | 0.71 | ![]() |
BR3![]() | (6-METHYL-3,4-DIHYDRO-2H-CHROMEN- 2-YL)METHYLPHOSPHINATE | A | 1PE5 | 0.76 | ![]() |
F9F![]() | 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE | A,B | 2CLI | 0.72 | ![]() |
F9F![]() | 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE | A,B | 2CLL | 0.72 | ![]() |
ZHH![]() | 2-(4-METHOXYPHENYL)ETHANAMINE | D,H | 2HKR | 0.7 | ![]() |
B76![]() | A,B | 2E9D | 0.71 | ![]() |