Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02315632
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 |
OSB | 2-SUCCINYLBENZOATE | A | 1FHV | 0.71 | |
OSB | 2-SUCCINYLBENZOATE | A,B,C,D | 1SJB | 0.71 | |
OSB | 2-SUCCINYLBENZOATE | A,B | 2QVH | 0.71 | |
1ZN | (2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy- 2,6,8-trimethyl-10-phenyldeca-4,6- dienoic acid | C,F,M,N | 2IAE | 0.7 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MRA | 0.73 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MNS | 0.73 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1DTN | 0.73 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MDR | 0.73 | |
HCI | HYDROCINNAMIC ACID | A,B | 1BXG | 0.75 | |
HCI | HYDROCINNAMIC ACID | A,B | 1TOG | 0.75 | |
HCI | HYDROCINNAMIC ACID | A,B | 1V2F | 0.75 | |
HCI | HYDROCINNAMIC ACID | A,B | 1AHX | 0.75 | |
HCI | HYDROCINNAMIC ACID | A | 1TOI | 0.75 | |
HCI | HYDROCINNAMIC ACID | A,B | 1AY8 | 0.75 | |
HCI | HYDROCINNAMIC ACID | A | 1TOJ | 0.75 | |
OIN | (1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT- 3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE | A | 1TH6 | 0.72 | |
OIN | (1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT- 3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE | A | 2ARM | 0.72 | |
KPV | 5-PHENYL-2-KETO-VALERIC ACID | A,B | 2Q5Q | 0.74 | |
OPH | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPM | 0.76 | |
OPH | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPL | 0.76 | |
NDD | 2,6-DICARBOXYNAPHTHALENE | A | 1U4O | 0.71 | |
NDD | 2,6-DICARBOXYNAPHTHALENE | A,B,C,D | 1HAC | 0.71 | |
BIP | 2-BENZYL-3-IODOPROPANOIC ACID | A,B,C,D | 1BAV | 0.74 | |
M5P | (S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID | A,B | 2YZ3 | 0.72 | |
CP5 | (2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}- 2-PHENYLACRYLATE | A | 1SCW | 0.73 | |
156 | 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID | A | 1FCZ | 0.7 | |
FL2 | FLURBIPROFEN METHYL ESTER | A,B | 1HT5 | 0.86 | |
BZM | BENZOIC ACID PHENYLMETHYLESTER | A,B | 1DZM | 0.77 | |
SMN | (S)-MANDELIC ACID | A | 1MDL | 0.74 | |
S1A | SORAPHEN A | A,B | 3GID | 0.7 | |
S1A | SORAPHEN A | A,B,C | 1W96 | 0.7 | |
ELI | 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID | A,B | 2GH5 | 0.71 | |
BTP | 2-THIOMETHYL-3-PHENYLPROPANOIC ACID | A,B | 1JAO | 0.72 | |
NLA | NAPHTHALEN-1-YL-ACETIC ACID | A,B,C,D | 1LRH | 0.79 | |
NLA | NAPHTHALEN-1-YL-ACETIC ACID | B | 2P1O | 0.79 | |
BFL | A,B | 1Q4G | 0.82 | ||
PPY | 3-PHENYLPYRUVIC ACID | A,B | 2Q5O | 0.74 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B | 1LCO | 0.74 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B,C,D,E,F | 2ZF4 | 0.74 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B | 1BW9 | 0.74 | |
UIN | 5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE | B | 5UPJ | 0.72 | |
BNA | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | I | 4ER1 | 0.74 | |
BNA | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | A | 1FQ5 | 0.74 | |
PPT | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.74 | |
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 | 0.77 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A,B | 1C1X | 0.77 | |
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 | 0.77 | |
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 | 0.77 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1QRP | 0.77 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A | 2CTC | 0.77 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E82 | 0.77 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E81 | 0.77 | |
173 | BENZOYL-FORMIC ACID | A,B | 1SZE | 0.72 | |
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 | |
BZS | L-BENZYLSUCCINIC ACID | A | 1CBX | 0.75 | |
BZS | L-BENZYLSUCCINIC ACID | A | 1HYT | 0.75 | |
BZS | L-BENZYLSUCCINIC ACID | A,B | 1WHT | 0.75 | |
LLG | 2-aminoethyl naphthalen-1-ylacetate | A | 3BC4 | 0.77 | |
295 | (2S,3S)-3-(4-fluorophenyl)-2,3- dihydroxypropanoic acid | A,B | 2RJR | 0.72 | |
DFA | DIPHENYLACETIC ACID | A,B,C | 1GMY | 0.84 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K5S | 0.8 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1KEC | 0.8 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K7D | 0.8 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A | 1OS0 | 0.76 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJI | 0.76 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJJ | 0.76 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2VS2 | 0.76 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 1OD1 | 0.76 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | E | 1EPR | 0.76 | |
NIU | 6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE | A | 6UPJ | 0.72 | |
5PV | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.76 | |
26C | A,B | 2F7I | 0.73 | ||
1LP | TRANYLCYPROMINE | A,B | 1OJB | 0.72 | |
MFD | (2S,3S,8S,9S)-3-AMINO-9-METHOXY- 2,6,8-TRIMETHYL-10-PHENYLDECA-4,6- DIENOIC ACID | A | 1AY3 | 0.7 | |
791 | 2-PHENYLMALONIC ACID | A | 1O4P | 0.81 | |
OST | METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE | C,D,E | 1SQQ | 0.8 | |
PAC | 2-PHENYLACETIC ACID | B | 1PNL | 0.78 | |
PAC | 2-PHENYLACETIC ACID | B | 1K5Q | 0.78 | |
PAC | 2-PHENYLACETIC ACID | B | 1FXH | 0.78 | |
PAC | 2-PHENYLACETIC ACID | A | 2ISF | 0.78 | |
PAC | 2-PHENYLACETIC ACID | A | 2INE | 0.78 | |
FBC | A,B | 2B9A | 0.73 | ||
AN1 | 3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID | H,Y | 1LO3 | 0.73 | |
ODE | DIETHYL (1R,2S,3R,4S)-5,6-BIS(4- HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT- 5-ENE-2,3-DICARBOXYLATE | A,B | 2QH6 | 0.72 | |
4FC | A | 1YSG | 0.73 | ||
CLT | 4-PHENYL-BUTANOIC ACID | A | 1THL | 0.76 | |
CLT | 4-PHENYL-BUTANOIC ACID | A,B | 2AY7 | 0.76 | |
CLT | 4-PHENYL-BUTANOIC ACID | E,I | 1TMN | 0.76 | |
IBP | IBUPROFEN | A | 3FKX | 0.79 | |
IBP | IBUPROFEN | A,B | 2BXG | 0.79 | |
IBP | IBUPROFEN | A,B | 1EQG | 0.79 | |
IBP | IBUPROFEN | A,B,C | 2WD9 | 0.79 | |
IBP | IBUPROFEN | A | 2PWS | 0.79 | |
FLP | FLURBIPROFEN | A,B,C,D | 3PGH | 0.8 | |
FLP | FLURBIPROFEN | A,B | 1CQE | 0.8 | |
FLP | FLURBIPROFEN | A,B | 1EQH | 0.8 | |
FLP | FLURBIPROFEN | A,B | 2AYL | 0.8 | |
FLP | FLURBIPROFEN | A | 1DVT | 0.8 | |
FLP | FLURBIPROFEN | A | 1R9O | 0.8 | |
BP4 | BIPHENYL-4-YL-ACETALDEHYDE | A,B,E,F,G,H | 1MHW | 0.74 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A,B,M,N | 1FJM | 0.72 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVA | 0.72 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1LCM | 0.72 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A,B,C,D,E,F, G,H | 2NYM | 0.72 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | C,I | 2IE3 | 0.72 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | C,F,X,Y | 2NPP | 0.72 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVC | 0.72 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | C,F,G,H | 3DW8 | 0.72 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A,B,C,D,E,F, G,H | 2NYL | 0.72 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVD | 0.72 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVB | 0.72 |