Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00016913
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 |
24B | (2,4-DIFLUOROPHENYL)METHANOL | A,B | 1QV6 | 0.75 | |
PHL | L-PHENYLALANINOL | A,B | 1JOH | 0.71 | |
PHL | L-PHENYLALANINOL | I | 3APR | 0.71 | |
PHL | L-PHENYLALANINOL | A | 1DLZ | 0.71 | |
PHL | L-PHENYLALANINOL | A | 1IH9 | 0.71 | |
PHL | L-PHENYLALANINOL | A | 1OB4 | 0.71 | |
PHL | L-PHENYLALANINOL | I | 2ER6 | 0.71 | |
PHL | L-PHENYLALANINOL | A | 1R9U | 0.71 | |
PHL | L-PHENYLALANINOL | A | 1OB7 | 0.71 | |
PHL | L-PHENYLALANINOL | A,B | 1OB6 | 0.71 | |
PHL | L-PHENYLALANINOL | A,B,C | 1AMT | 0.71 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.79 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.79 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.79 | |
341 | (3,5-difluorophenyl)methanol | C | 3EON | 0.74 | |
3BZ | 3-chlorobenzoate | X | 2QVZ | 0.72 | |
3BZ | 3-chlorobenzoate | X | 2QVX | 0.72 | |
5PV | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.7 | |
PDH | (2S)-2-AMINO-3-PHENYL-1-PROPANOL | A | 1GQ0 | 0.71 | |
IOB | 3-IODO-BENZYL ALCOHOL | A,B | 1QK0 | 0.76 | |
174 | 4-CHLORO-BENZOIC ACID | X | 3DLP | 0.7 | |
174 | 4-CHLORO-BENZOIC ACID | X | 1T5D | 0.7 | |
12M | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.79 | |
43M | 4-CHLORO-3-METHYLPHENOL | A | 2P7A | 0.72 | |
NDH | (1R, 2S)-CIS 1,2 DIHYDROXY-1,2- DIHYDRONAPHTHALENE | A,B | 1O7P | 0.72 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0D | 0.87 | |
PEL | 2-PHENYL-ETHANOL | D,H | 2I0T | 0.87 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1HZY | 0.87 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0B | 0.87 | |
PEL | 2-PHENYL-ETHANOL | A | 1EYW | 0.87 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1JGM | 0.87 | |
CLT | 4-PHENYL-BUTANOIC ACID | A | 1THL | 0.7 | |
CLT | 4-PHENYL-BUTANOIC ACID | A,B | 2AY7 | 0.7 | |
CLT | 4-PHENYL-BUTANOIC ACID | E,I | 1TMN | 0.7 | |
PHK | (2R,3S)-3-AMINO-1-CHLORO-4-PHENYL- BUTAN-2-OL | A | 1MU0 | 0.72 | |
PHK | (2R,3S)-3-AMINO-1-CHLORO-4-PHENYL- BUTAN-2-OL | A | 1XRL | 0.72 | |
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 | 0.72 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A,B | 1C1X | 0.72 | |
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 | 0.72 | |
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 | 0.72 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1QRP | 0.72 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A | 2CTC | 0.72 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E82 | 0.72 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E81 | 0.72 | |
MXN | (2R)-hydroxy(phenyl)ethanenitrile | A,B | 3GDN | 0.74 | |
SS1 | 1-PHENYLETHANOL | H | 1UM5 | 0.79 | |
DFB | 2,3-DIFLUOROBENZYL ALCOHOL | A,B | 1QV7 | 0.75 | |
DFB | 2,3-DIFLUOROBENZYL ALCOHOL | A,B,C,D | 1MG0 | 0.75 | |
2NA | naphthalen-2-ylmethanol | A,B,C | 3EE5 | 0.71 | |
269 | (1R)-3-chloro-1-phenylpropan-1- ol | A | 2RBS | 0.84 | |
OBZ | O-benzylhydroxylamine | A,B | 3DTH | 0.73 | |
OBZ | O-benzylhydroxylamine | A,B | 3DTG | 0.73 | |
HCI | HYDROCINNAMIC ACID | A,B | 1BXG | 0.71 | |
HCI | HYDROCINNAMIC ACID | A,B | 1TOG | 0.71 | |
HCI | HYDROCINNAMIC ACID | A,B | 1V2F | 0.71 | |
HCI | HYDROCINNAMIC ACID | A,B | 1AHX | 0.71 | |
HCI | HYDROCINNAMIC ACID | A | 1TOI | 0.71 | |
HCI | HYDROCINNAMIC ACID | A,B | 1AY8 | 0.71 | |
HCI | HYDROCINNAMIC ACID | A | 1TOJ | 0.71 | |
MNN | (S)-MANDELIC ACID NITRILE | A | 1YB6 | 0.74 | |
PPP | 3-PHENYL-1,2-PROPANDIOL | A,B | 1HRN | 0.82 | |
BGG | CARBONIC ACID MONOBENZYL ESTER | B,D | 1DLK | 0.71 | |
RSO | R-STYRENE OXIDE | A,B | 1PWZ | 0.71 | |
4FA | 4-FLUOROPHENETHYL ALCOHOL | A | 1OWZ | 0.84 | |
2CL | (2,6-DICHLOROPHENYL)ACETIC ACID | A | 2IPW | 0.78 | |
2CL | (2,6-DICHLOROPHENYL)ACETIC ACID | A | 2IS7 | 0.78 | |
PAC | 2-PHENYLACETIC ACID | B | 1PNL | 0.72 | |
PAC | 2-PHENYLACETIC ACID | B | 1K5Q | 0.72 | |
PAC | 2-PHENYLACETIC ACID | B | 1FXH | 0.72 | |
PAC | 2-PHENYLACETIC ACID | A | 2ISF | 0.72 | |
PAC | 2-PHENYLACETIC ACID | A | 2INE | 0.72 |