Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02675836
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 |
BPA | 7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE | A | 1JDG | 0.72 | |
174 | 4-CHLORO-BENZOIC ACID | X | 3DLP | 0.72 | |
174 | 4-CHLORO-BENZOIC ACID | X | 1T5D | 0.72 | |
BPI | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A,P,T | 2I9G | 0.73 | |
BPI | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 1HWV | 0.73 | |
BZR | 1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1MXJ | 0.73 | |
4FA | 4-FLUOROPHENETHYL ALCOHOL | A | 1OWZ | 0.71 | |
BZA | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1DL4 | 0.73 | |
BZA | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1I7V | 0.73 | |
BZA | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1QBY | 0.73 | |
PPP | 3-PHENYL-1,2-PROPANDIOL | A,B | 1HRN | 0.78 | |
BPJ | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 2ROU | 0.73 | |
BPJ | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 1HX4 | 0.73 | |
3BZ | 3-chlorobenzoate | X | 2QVZ | 0.7 | |
3BZ | 3-chlorobenzoate | X | 2QVX | 0.7 | |
BPY | BIPHENYL-2,3-DIOL | A | 1KMY | 0.72 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW8 | 0.72 | |
BPY | BIPHENYL-2,3-DIOL | A | 2EI3 | 0.72 | |
BPY | BIPHENYL-2,3-DIOL | A | 1EIR | 0.72 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW6 | 0.72 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KWC | 0.72 | |
BPY | BIPHENYL-2,3-DIOL | B | 1KW9 | 0.72 | |
PCQ | 3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL | A,B | 1G3M | 0.77 | |
PCQ | 3,5,3',5'-TETRACHLORO-BIPHENYL- 4,4'-DIOL | A,B | 2G5U | 0.77 | |
SMN | (S)-MANDELIC ACID | A | 1MDL | 0.74 | |
2NA | naphthalen-2-ylmethanol | A,B,C | 3EE5 | 0.75 | |
43M | 4-CHLORO-3-METHYLPHENOL | A | 2P7A | 0.72 | |
BP7 | 1,1'-BIPHENYL-3,4-DIOL | A | 2EI0 | 0.72 | |
12M | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.76 | |
TBT | 8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE- 8,9,10-TRIOL | A | 1DJD | 0.73 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1AXV | 0.72 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,E | 2IBK | 0.72 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,B,C,D,E,F | 2IA6 | 0.72 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1Y9H | 0.72 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1FYY | 0.72 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1AXO | 0.72 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1DXA | 0.72 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1AXL | 0.72 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,B,D,E,F | 1S0M | 0.72 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A | 1BPS | 0.72 | |
BAP | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE | A,C | 1XC9 | 0.72 | |
24B | (2,4-DIFLUOROPHENYL)METHANOL | A,B | 1QV6 | 0.72 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.8 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.8 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.8 | |
2CL | (2,6-DICHLOROPHENYL)ACETIC ACID | A | 2IPW | 0.71 | |
2CL | (2,6-DICHLOROPHENYL)ACETIC ACID | A | 2IS7 | 0.71 | |
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 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.7 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.71 | |
DES | DIETHYLSTILBESTROL | A,B | 3ERD | 0.71 | |
DES | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.71 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.71 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0D | 0.73 | |
PEL | 2-PHENYL-ETHANOL | D,H | 2I0T | 0.73 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1HZY | 0.73 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0B | 0.73 | |
PEL | 2-PHENYL-ETHANOL | A | 1EYW | 0.73 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1JGM | 0.73 | |
269 | (1R)-3-chloro-1-phenylpropan-1- ol | A | 2RBS | 0.84 | |
BP3 | 2'-CHLORO-BIPHENYL-2,3-DIOL | A | 1LGT | 0.8 | |
MXN | (2R)-hydroxy(phenyl)ethanenitrile | A,B | 3GDN | 0.75 | |
NE2 | 3,3',4',5-TETRACHLOROBIPHENYL-4- OL | A,B | 2GAB | 0.76 | |
BP6 | 2',6'-DICHLORO-BIPHENYL-2,6-DIOL | A | 1LKD | 0.8 | |
I59 | HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID | A | 1O4G | 0.72 | |
NDH | (1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE | A,B | 1O7P | 0.81 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.7 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.7 | |
NE1 | 2',3,3',4',5-PENTACHLOROBIPHENYL- 4-OL | A,B | 2G9K | 0.75 | |
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 | |
DFB | 2,3-DIFLUOROBENZYL ALCOHOL | A,B | 1QV7 | 0.72 | |
DFB | 2,3-DIFLUOROBENZYL ALCOHOL | A,B,C,D | 1MG0 | 0.72 | |
341 | (3,5-difluorophenyl)methanol | C | 3EON | 0.71 | |
RSO | R-STYRENE OXIDE | A,B | 1PWZ | 0.71 |