Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01753201
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 |
NF2 | (1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO- 5-METHYLPHENYL)-5-O-PHOSPHONO-D- RIBITOL | A,B | 2G92 | 0.73 |  |
| NF2 | (1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO- 5-METHYLPHENYL)-5-O-PHOSPHONO-D- RIBITOL | A,B,C,D | 2Q1O | 0.73 | |
2MP | 3,4-DIMETHYLPHENOL | A | 1L5O | 0.72 | |
4FA | 4-FLUOROPHENETHYL ALCOHOL | A | 1OWZ | 0.76 | |
EPT | HEPTANYL-P-PHENOL | A,B | 1AHZ | 0.74 | |
NDH | (1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE | A,B | 1O7P | 0.75 | |
B08 | A,B | 2E99 | 0.72 | | |
PYY | D-RIBOFURANOSYL-BENZENE-5'-MONOPHOSPHATE | A | 1G2J | 0.74 | |
2NA | naphthalen-2-ylmethanol | A,B,C | 3EE5 | 0.7 | |
DFT | 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE | A | 1BW7 | 0.74 | |
| DFT | 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE | A,T | 2VA3 | 0.74 | |
| DFT | 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE | A,B,D,F | 2V9W | 0.74 | |
| DFT | 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE | A,B,D,E,F | 2VA2 | 0.74 | |
| DFT | 1-[2-DEOXYRIBOFURANOSYL]-2,4-DIFLUORO- 5-METHYL-BENZENE-5'MONOPHOSPHATE | 1,2 | 1EEK | 0.74 | |
2HS | HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS2 | 0.77 | |
SMN | (S)-MANDELIC ACID | A | 1MDL | 0.7 | |
12M | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.8 | |
FCR | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL | A,B | 1E0Y | 0.71 | |
| FCR | ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL | A,B | 1E8G | 0.71 | |
2HR | HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS1 | 0.77 | |
LYL | 2-ALLYL-6-METHYL-PHENOL | A | 1OV7 | 0.75 | |
CRS | M-CRESOL | A,B,C,D | 1EV3 | 0.72 | |
| CRS | M-CRESOL | A,B,C,D,E,F | 2OMG | 0.72 | |
| CRS | M-CRESOL | A,B | 1UZ9 | 0.72 | |
| CRS | M-CRESOL | A,B,C,D | 1ZEH | 0.72 | |
| CRS | M-CRESOL | A,B,C,D,E,F | 1ZEI | 0.72 | |
| CRS | M-CRESOL | A,C,D,E | 7INS | 0.72 | |
| CRS | M-CRESOL | A,B,C,D,E,G, I,K | 1EV6 | 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 | 0.75 | |
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 | |
RSO | R-STYRENE OXIDE | A,B | 1PWZ | 0.72 | |
341 | (3,5-difluorophenyl)methanol | C | 3EON | 0.77 | |
BGG | CARBONIC ACID MONOBENZYL ESTER | B,D | 1DLK | 0.72 | |
24B | (2,4-DIFLUOROPHENYL)METHANOL | A,B | 1QV6 | 0.78 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MRA | 0.7 | |
| APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MNS | 0.7 | |
| APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1DTN | 0.7 | |
| APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MDR | 0.7 | |
8PP | 2-[(2E,6E,10E,14E,18E,22E,26E)- 3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA- 2,6,10,14,18,22,26,30-OCTAENYL]PHENOL | A,B,C,D | 1Y0G | 0.73 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1DPM | 0.72 | |
| EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1P6B | 0.72 | |
| EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1PSC | 0.72 | |
| EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 3E3H | 0.72 | |
| EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1QW7 | 0.72 | |
| EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1P6C | 0.72 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.82 | |
| SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.82 | |
| SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.82 | |
PPP | 3-PHENYL-1,2-PROPANDIOL | A,B | 1HRN | 0.75 | |
BPM | 4-PHOSPHONOOXY-PHENYL-METHYL-[4- PHOSPHONOOXY]BENZEN | A | 1AAX | 0.74 | |
PFL | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.73 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.7 | |
2LP | 2-ALLYLPHENOL | A | 1OV5 | 0.75 | |
269 | (1R)-3-chloro-1-phenylpropan-1- ol | A | 2RBS | 0.75 | |
OBZ | O-benzylhydroxylamine | A,B | 3DTH | 0.72 | |
| OBZ | O-benzylhydroxylamine | A,B | 3DTG | 0.72 | |
MXN | (2R)-hydroxy(phenyl)ethanenitrile | A,B | 3GDN | 0.75 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0D | 0.75 | |
| PEL | 2-PHENYL-ETHANOL | D,H | 2I0T | 0.75 | |
| PEL | 2-PHENYL-ETHANOL | A,B | 1HZY | 0.75 | |
| PEL | 2-PHENYL-ETHANOL | A,B | 1I0B | 0.75 | |
| PEL | 2-PHENYL-ETHANOL | A | 1EYW | 0.75 | |
| PEL | 2-PHENYL-ETHANOL | A,B | 1JGM | 0.75 | |
I59 | HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID | A | 1O4G | 0.77 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.7 | |
| 2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.7 | |
SS1 | 1-PHENYLETHANOL | H | 1UM5 | 0.82 | |
IPB | 5-METHYL-2-(1-METHYLETHYL)PHENOL | A,B | 1E06 | 0.71 | |
EYK | 2-tert-butylbenzene-1,4-diol | D,F | 3EYM | 0.71 | |
| EYK | 2-tert-butylbenzene-1,4-diol | B | 3EYK | 0.71 | |
DFB | 2,3-DIFLUOROBENZYL ALCOHOL | A,B | 1QV7 | 0.78 | |
| DFB | 2,3-DIFLUOROBENZYL ALCOHOL | A,B,C,D | 1MG0 | 0.78 | |
ETY | 4-ethylphenol | A,B,C,D | 2RA6 | 0.75 | |
B28 | A,B | 2E9A | 0.71 | | |
SRL | [2-(3,5-DI-TERT-BUTYL-4-HYDROXY- PHENYL)-1-(DIETHOXY-PHOSPHORYL)- VINYL]-PHOSPHONIC ACID DIETHLYL ESTER | A | 1ILH | 0.75 | |
| SRL | [2-(3,5-DI-TERT-BUTYL-4-HYDROXY- PHENYL)-1-(DIETHOXY-PHOSPHORYL)- VINYL]-PHOSPHONIC ACID DIETHLYL ESTER | A,B | 1NRL | 0.75 | |
MNN | (S)-MANDELIC ACID NITRILE | A | 1YB6 | 0.75 | |
PCR | P-CRESOL | A | 1JHV | 0.73 | |
| PCR | P-CRESOL | A | 1JHU | 0.73 | |
| PCR | P-CRESOL | A,B,C,D | 1DIQ | 0.73 | |
IOB | 3-IODO-BENZYL ALCOHOL | A,B | 1QK0 | 0.75 | |
RMN | (R)-MANDELIC ACID | A | 1MDL | 0.7 | |
| RMN | (R)-MANDELIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1MCZ | 0.7 | |