Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02487135
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 |
BP4![]() | BIPHENYL-4-YL-ACETALDEHYDE | A,B,E,F,G,H | 1MHW | 0.71 | ![]() |
UIN![]() | 5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE | B | 5UPJ | 0.75 | ![]() |
BFL![]() | A,B | 1Q4G | 0.87 | ![]() | |
BNA![]() | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | I | 4ER1 | 0.78 | ![]() |
BNA![]() | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | A | 1FQ5 | 0.78 | ![]() |
PPT![]() | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.78 | ![]() |
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 | ![]() |
TTB![]() | 4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID | A | 1XAP | 0.75 | ![]() |
IBP![]() | IBUPROFEN | A | 3FKX | 0.85 | ![]() |
IBP![]() | IBUPROFEN | A,B | 2BXG | 0.85 | ![]() |
IBP![]() | IBUPROFEN | A,B | 1EQG | 0.85 | ![]() |
IBP![]() | IBUPROFEN | A,B,C | 2WD9 | 0.85 | ![]() |
IBP![]() | IBUPROFEN | A | 2PWS | 0.85 | ![]() |
ISA![]() | 3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID | A | 1NX3 | 0.7 | ![]() |
ISA![]() | 3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID | A,B | 1ALW | 0.7 | ![]() |
BTP![]() | 2-THIOMETHYL-3-PHENYLPROPANOIC ACID | A,B | 1JAO | 0.75 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | B | 1PNL | 0.8 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | B | 1K5Q | 0.8 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | B | 1FXH | 0.8 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | A | 2ISF | 0.8 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | A | 2INE | 0.8 | ![]() |
AKV![]() | {3-[(1R,3S)-1,3-DIHYDROXYPENTYL]- 4,5,9,10-TETRAHYDROXY-2-ANTHRYL}ACETATE | A,B,C,D | 2F99 | 0.7 | ![]() |
564![]() | 6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCY | 0.72 | ![]() |
5PV![]() | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.78 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1K5S | 0.84 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1KEC | 0.84 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1K7D | 0.84 | ![]() |
PPP![]() | 3-PHENYL-1,2-PROPANDIOL | A,B | 1HRN | 0.72 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B | 2Q5O | 0.77 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B | 1LCO | 0.77 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B,C,D,E,F | 2ZF4 | 0.77 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B | 1BW9 | 0.77 | ![]() |
LLG![]() | 2-aminoethyl naphthalen-1-ylacetate | A | 3BC4 | 0.71 | ![]() |
SMN![]() | (S)-MANDELIC ACID | A | 1MDL | 0.78 | ![]() |
SS1![]() | 1-PHENYLETHANOL | H | 1UM5 | 0.7 | ![]() |
HPP![]() | HYDROXYPHENYL PROPIONIC ACID | A,B | 2TPL | 0.7 | ![]() |
HPP![]() | HYDROXYPHENYL PROPIONIC ACID | A,B,C,D | 3GGP | 0.7 | ![]() |
173![]() | BENZOYL-FORMIC ACID | A,B | 1SZE | 0.74 | ![]() |
OPH![]() | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPM | 0.8 | ![]() |
OPH![]() | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPL | 0.8 | ![]() |
WRS![]() | 4-HYDROXY-3-[(1S,3S)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1HA2 | 0.72 | ![]() |
KPV![]() | 5-PHENYL-2-KETO-VALERIC ACID | A,B | 2Q5Q | 0.77 | ![]() |
M5P![]() | (S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID | A,B | 2YZ3 | 0.75 | ![]() |
NLA![]() | NAPHTHALEN-1-YL-ACETIC ACID | A,B,C,D | 1LRH | 0.81 | ![]() |
NLA![]() | NAPHTHALEN-1-YL-ACETIC ACID | B | 2P1O | 0.81 | ![]() |
256![]() | PHENYL(SULFO)ACETIC ACID | A | 1O4Q | 0.71 | ![]() |
ELI![]() | 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID | A,B | 2GH5 | 0.76 | ![]() |
WRR![]() | 4-HYDROXY-3-[(1S,3R)-3-HYDROXY- 1-PHENYLBUTYL]-2H-CHROMEN-2-ONE | A | 1H9Z | 0.72 | ![]() |
BIP![]() | 2-BENZYL-3-IODOPROPANOIC ACID | A,B,C,D | 1BAV | 0.77 | ![]() |
FLP![]() | FLURBIPROFEN | A,B,C,D | 3PGH | 0.84 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 1CQE | 0.84 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 1EQH | 0.84 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 2AYL | 0.84 | ![]() |
FLP![]() | FLURBIPROFEN | A | 1DVT | 0.84 | ![]() |
FLP![]() | FLURBIPROFEN | A | 1R9O | 0.84 | ![]() |
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 | 0.71 | ![]() |
CP5![]() | (2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}- 2-PHENYLACRYLATE | A | 1SCW | 0.7 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | A | 1THL | 0.78 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | A,B | 2AY7 | 0.78 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | E,I | 1TMN | 0.78 | ![]() |
S1A![]() | SORAPHEN A | A,B | 3GID | 0.77 | ![]() |
S1A![]() | SORAPHEN A | A,B,C | 1W96 | 0.77 | ![]() |
TBC![]() | (9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE | A | 1N8C | 0.71 | ![]() |
CPM![]() | S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE | A | 1CPS | 0.73 | ![]() |
OMD![]() | 2-(3,6-DIHYDROXYPHENYL)ACETIC ACID | A,B | 1AJP | 0.72 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1BXG | 0.77 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1TOG | 0.77 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1V2F | 0.77 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1AHX | 0.77 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A | 1TOI | 0.77 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1AY8 | 0.77 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A | 1TOJ | 0.77 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1I0D | 0.71 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | D,H | 2I0T | 0.71 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1HZY | 0.71 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1I0B | 0.71 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A | 1EYW | 0.71 | ![]() |
PEL![]() | 2-PHENYL-ETHANOL | A,B | 1JGM | 0.71 | ![]() |
CIN![]() | 4-CARBOXYCINNAMIC ACID | A,B,C,D | 1HAB | 0.71 | ![]() |
CIN![]() | 4-CARBOXYCINNAMIC ACID | A,B | 1T6J | 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 | 0.74 | ![]() |
156![]() | 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID | A | 1FCZ | 0.75 | ![]() |
791![]() | 2-PHENYLMALONIC ACID | A | 1O4P | 0.79 | ![]() |
4MA![]() | 4-METHYLBENZOIC ACID | A,H | 2HRG | 0.73 | ![]() |
AN1![]() | 3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID | H,Y | 1LO3 | 0.78 | ![]() |
26C![]() | A,B | 2F7I | 0.75 | ![]() | |
HSI![]() | (3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID | A | 2Z2D | 0.72 | ![]() |
295![]() | (2S,3S)-3-(4-fluorophenyl)-2,3- dihydroxypropanoic acid | A,B | 2RJR | 0.72 | ![]() |
184![]() | 6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCX | 0.76 | ![]() |
RP4![]() | (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3- (PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE- 1-CARBOXYLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 2CJF | 0.75 | ![]() |
ADD![]() | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A,B,M,N | 1FJM | 0.75 | ![]() |
ADD![]() | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVA | 0.75 | ![]() |
ADD![]() | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1LCM | 0.75 | ![]() |
ADD![]() | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A,B,C,D,E,F, G,H | 2NYM | 0.75 | ![]() |
ADD![]() | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | C,I | 2IE3 | 0.75 | ![]() |
ADD![]() | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | C,F,X,Y | 2NPP | 0.75 | ![]() |
ADD![]() | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVC | 0.75 | ![]() |
ADD![]() | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | C,F,G,H | 3DW8 | 0.75 | ![]() |
ADD![]() | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A,B,C,D,E,F, G,H | 2NYL | 0.75 | ![]() |
ADD![]() | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVD | 0.75 | ![]() |
ADD![]() | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVB | 0.75 | ![]() |
HXS![]() | 4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenol | A,B | 3CV6 | 0.7 | ![]() |
1LP![]() | TRANYLCYPROMINE | A,B | 1OJB | 0.7 | ![]() |
4HP![]() | 4-HYDROXYPHENYLACETATE | A,B,C,D | 2JBT | 0.71 | ![]() |
4HP![]() | 4-HYDROXYPHENYLACETATE | A | 2YYJ | 0.71 | ![]() |
4HP![]() | 4-HYDROXYPHENYLACETATE | A | 2YYM | 0.71 | ![]() |
4HP![]() | 4-HYDROXYPHENYLACETATE | B | 1AI6 | 0.71 | ![]() |
4HP![]() | 4-HYDROXYPHENYLACETATE | M,N,O,P,Q,R | 3PCG | 0.71 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.7 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.7 | ![]() |
SS2![]() | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.7 | ![]() |
OX1![]() | H,Y | 1LO2 | 0.75 | ![]() | |
OST![]() | METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE | C,D,E | 1SQQ | 0.79 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A | 1OS0 | 0.8 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJI | 0.8 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJJ | 0.8 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2VS2 | 0.8 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 1OD1 | 0.8 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | E | 1EPR | 0.8 | ![]() |
NDD![]() | 2,6-DICARBOXYNAPHTHALENE | A | 1U4O | 0.73 | ![]() |
NDD![]() | 2,6-DICARBOXYNAPHTHALENE | A,B,C,D | 1HAC | 0.73 | ![]() |
MFD![]() | (2S,3S,8S,9S)-3-AMINO-9-METHOXY- 2,6,8-TRIMETHYL-10-PHENYLDECA-4,6- DIENOIC ACID | A | 1AY3 | 0.74 | ![]() |
FL2![]() | FLURBIPROFEN METHYL ESTER | A,B | 1HT5 | 0.82 | ![]() |
OSB![]() | 2-SUCCINYLBENZOATE | A | 1FHV | 0.73 | ![]() |
OSB![]() | 2-SUCCINYLBENZOATE | A,B,C,D | 1SJB | 0.73 | ![]() |
OSB![]() | 2-SUCCINYLBENZOATE | A,B | 2QVH | 0.73 | ![]() |
FBC![]() | A,B | 2B9A | 0.75 | ![]() | |
APG![]() | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MRA | 0.76 | ![]() |
APG![]() | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MNS | 0.76 | ![]() |
APG![]() | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1DTN | 0.76 | ![]() |
APG![]() | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MDR | 0.76 | ![]() |
TMM![]() | 1,3,5-BENZENETRICARBOXYLIC ACID | A,B,C,D | 1SDL | 0.71 | ![]() |
TMM![]() | 1,3,5-BENZENETRICARBOXYLIC ACID | A,B,C,D | 1SDK | 0.71 | ![]() |
3HP![]() | 3-HYDROXYPHENYLACETATE | M,N,O,P,Q,R | 3PCE | 0.75 | ![]() |
R12![]() | 9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)- 3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID | A | 3CBS | 0.71 | ![]() |
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 | 0.81 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A,B | 1C1X | 0.81 | ![]() |
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 | 0.81 | ![]() |
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 | 0.81 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1QRP | 0.81 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A | 2CTC | 0.81 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E82 | 0.81 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E81 | 0.81 | ![]() |
TRZ![]() | TRAZEOLIDE | A | 1C12 | 0.73 | ![]() |
NPS![]() | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | A | 2VDB | 0.7 | ![]() |
OAC![]() | TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE | C | 3GCH | 0.76 | ![]() |
NIU![]() | 6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE | A | 6UPJ | 0.75 | ![]() |
HHH![]() | (2S)-hydroxy(4-hydroxyphenyl)ethanoic acid | A,B | 2R5V | 0.73 | ![]() |
BZS![]() | L-BENZYLSUCCINIC ACID | A | 1CBX | 0.77 | ![]() |
BZS![]() | L-BENZYLSUCCINIC ACID | A | 1HYT | 0.77 | ![]() |
BZS![]() | L-BENZYLSUCCINIC ACID | A,B | 1WHT | 0.77 | ![]() |
CA2![]() | (1S,3R,4R,5S)-1,3,4-TRIHYDROXY- 5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 2BT4 | 0.7 | ![]() |
4FC![]() | A | 1YSG | 0.75 | ![]() | |
DHY![]() | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | M,N,O,P,Q,R | 3PCN | 0.71 | ![]() |
DHY![]() | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | B | 1AI4 | 0.71 | ![]() |
DHY![]() | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | A,B,C,D | 1Q0C | 0.71 | ![]() |
DHY![]() | 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID | A,B | 1F1V | 0.71 | ![]() |
DFA![]() | DIPHENYLACETIC ACID | A,B,C | 1GMY | 0.86 | ![]() |
RMN![]() | (R)-MANDELIC ACID | A | 1MDL | 0.78 | ![]() |
RMN![]() | (R)-MANDELIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1MCZ | 0.78 | ![]() |
2CL![]() | (2,6-DICHLOROPHENYL)ACETIC ACID | A | 2IPW | 0.7 | ![]() |
2CL![]() | (2,6-DICHLOROPHENYL)ACETIC ACID | A | 2IS7 | 0.7 | ![]() |
BZM![]() | BENZOIC ACID PHENYLMETHYLESTER | A,B | 1DZM | 0.71 | ![]() |