Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02427225
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 |
2HR | HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS1 | 0.7 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.79 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.79 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.79 | |
2HS | HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS2 | 0.7 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0D | 0.82 | |
PEL | 2-PHENYL-ETHANOL | D,H | 2I0T | 0.82 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1HZY | 0.82 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0B | 0.82 | |
PEL | 2-PHENYL-ETHANOL | A | 1EYW | 0.82 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1JGM | 0.82 | |
B08 | A,B | 2E99 | 0.72 | ||
DES | DIETHYLSTILBESTROL | A,B,C,D | 1S9P | 0.7 | |
DES | DIETHYLSTILBESTROL | A,B | 3ERD | 0.7 | |
DES | DIETHYLSTILBESTROL | A,B | 1TT6 | 0.7 | |
DES | DIETHYLSTILBESTROL | A,B,C,D | 1TZ8 | 0.7 | |
M5P | (S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID | A,B | 2YZ3 | 0.77 | |
4FA | 4-FLUOROPHENETHYL ALCOHOL | A | 1OWZ | 0.79 | |
IOB | 3-IODO-BENZYL ALCOHOL | A,B | 1QK0 | 0.71 | |
TBT | 8,9,10,11-TETRAHYDRO-BENZO[A]ANTHRACENE- 8,9,10-TRIOL | A | 1DJD | 0.7 | |
CPM | S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE | A | 1CPS | 0.7 | |
1OH | 4-(1-methyl-1-phenylethyl)phenol | A | 2ZAS | 0.71 | |
PFL | 2,6-BIS(1-METHYLETHYL)PHENOL | A,B | 1E7A | 0.71 | |
BZA | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1DL4 | 0.7 | |
BZA | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1I7V | 0.7 | |
BZA | 1R,2S,3R,4S-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1QBY | 0.7 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2E2R | 0.71 | |
2OH | 4,4'-PROPANE-2,2-DIYLDIPHENOL | A | 2P7G | 0.71 | |
BPJ | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 2ROU | 0.7 | |
BPJ | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 1HX4 | 0.7 | |
BPI | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A,P,T | 2I9G | 0.7 | |
BPI | (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE- 2,3,4-TRIOL | A | 1HWV | 0.7 | |
DFB | 2,3-DIFLUOROBENZYL ALCOHOL | A,B | 1QV7 | 0.71 | |
DFB | 2,3-DIFLUOROBENZYL ALCOHOL | A,B,C,D | 1MG0 | 0.71 | |
BZR | 1S,2R,3S,4R-TETRAHYDRO-BENZO[A]ANTHRACENE- 2,3,4-TRIOL | A | 1MXJ | 0.7 | |
CGT | CARBA-GLUCOTROPAEOLIN | M | 1W9B | 0.71 | |
B28 | A,B | 2E9A | 0.72 | ||
COR | 2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE | A | 9HVP | 0.72 | |
I59 | HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID | A | 1O4G | 0.71 | |
PPP | 3-PHENYL-1,2-PROPANDIOL | A,B | 1HRN | 0.81 | |
ISA | 3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID | A | 1NX3 | 0.71 | |
ISA | 3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID | A,B | 1ALW | 0.71 | |
SS1 | 1-PHENYLETHANOL | H | 1UM5 | 0.79 | |
2NA | naphthalen-2-ylmethanol | A,B,C | 3EE5 | 0.76 | |
FLP | FLURBIPROFEN | A,B,C,D | 3PGH | 0.71 | |
FLP | FLURBIPROFEN | A,B | 1CQE | 0.71 | |
FLP | FLURBIPROFEN | A,B | 1EQH | 0.71 | |
FLP | FLURBIPROFEN | A,B | 2AYL | 0.71 | |
FLP | FLURBIPROFEN | A | 1DVT | 0.71 | |
FLP | FLURBIPROFEN | A | 1R9O | 0.71 | |
HXS | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.72 | |
MXN | (2R)-hydroxy(phenyl)ethanenitrile | A,B | 3GDN | 0.73 | |
269 | (1R)-3-chloro-1-phenylpropan-1- ol | A | 2RBS | 0.74 | |
DFA | DIPHENYLACETIC ACID | A,B,C | 1GMY | 0.75 | |
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 | 0.71 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A,B | 1C1X | 0.71 | |
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 | 0.71 | |
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 | 0.71 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1QRP | 0.71 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A | 2CTC | 0.71 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E82 | 0.71 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E81 | 0.71 | |
BFL | A,B | 1Q4G | 0.73 | ||
24B | (2,4-DIFLUOROPHENYL)METHANOL | A,B | 1QV6 | 0.71 | |
TBC | (9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE | A | 1N8C | 0.77 | |
IBP | IBUPROFEN | A | 3FKX | 0.71 | |
IBP | IBUPROFEN | A,B | 2BXG | 0.71 | |
IBP | IBUPROFEN | A,B | 1EQG | 0.71 | |
IBP | IBUPROFEN | A,B,C | 2WD9 | 0.71 | |
IBP | IBUPROFEN | A | 2PWS | 0.71 | |
LJ1 | 2,6-dimethyl-4-[(E)-2-phenylethenyl]phenol | A,B | 3CN0 | 0.7 | |
12M | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.77 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K5S | 0.71 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1KEC | 0.71 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K7D | 0.71 | |
BTP | 2-THIOMETHYL-3-PHENYLPROPANOIC ACID | A,B | 1JAO | 0.76 | |
NDH | (1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE | A,B | 1O7P | 0.76 | |
BDB | A,B | 1KE3 | 0.71 | ||
RSO | R-STYRENE OXIDE | A,B | 1PWZ | 0.71 | |
MNN | (S)-MANDELIC ACID NITRILE | A | 1YB6 | 0.73 |