Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02874087
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 |
ELI![]() | 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID | A,B | 2GH5 | 0.8 | ![]() |
BNA![]() | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | I | 4ER1 | 0.78 | ![]() |
BNA![]() | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | A | 1FQ5 | 0.78 | ![]() |
4PH![]() | 4-methyl-L-phenylalanine | B,C | 3BV9 | 0.7 | ![]() |
TTB![]() | 4-[(1E)-2-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRONAPHTHALEN-2- YL)PROP-1-ENYL]BENZOIC ACID | A | 1XAP | 0.73 | ![]() |
4FC![]() | A | 1YSG | 0.79 | ![]() | |
UIN![]() | 5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE | B | 5UPJ | 0.73 | ![]() |
26C![]() | A,B | 2F7I | 0.8 | ![]() | |
564![]() | 6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCY | 0.72 | ![]() |
791![]() | 2-PHENYLMALONIC ACID | A | 1O4P | 0.78 | ![]() |
FLP![]() | FLURBIPROFEN | A,B,C,D | 3PGH | 0.86 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 1CQE | 0.86 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 1EQH | 0.86 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 2AYL | 0.86 | ![]() |
FLP![]() | FLURBIPROFEN | A | 1DVT | 0.86 | ![]() |
FLP![]() | FLURBIPROFEN | A | 1R9O | 0.86 | ![]() |
PHT![]() | PHTHALIC ACID | A,B,C | 2B7P | 0.71 | ![]() |
PHT![]() | PHTHALIC ACID | A | 3C2V | 0.71 | ![]() |
PHT![]() | PHTHALIC ACID | A,B,C,D,E,F | 1QPR | 0.71 | ![]() |
PHT![]() | PHTHALIC ACID | A,B | 3C2R | 0.71 | ![]() |
APA![]() | AMIDO PHENYL PYRUVIC ACID | H,I | 1AHT | 0.72 | ![]() |
APA![]() | AMIDO PHENYL PYRUVIC ACID | A,B,C,D | 1A0L | 0.72 | ![]() |
APA![]() | AMIDO PHENYL PYRUVIC ACID | A | 1TPP | 0.72 | ![]() |
HPP![]() | HYDROXYPHENYL PROPIONIC ACID | A,B | 2TPL | 0.7 | ![]() |
HPP![]() | HYDROXYPHENYL PROPIONIC ACID | A,B,C,D | 3GGP | 0.7 | ![]() |
NLA![]() | NAPHTHALEN-1-YL-ACETIC ACID | A,B,C,D | 1LRH | 0.82 | ![]() |
NLA![]() | NAPHTHALEN-1-YL-ACETIC ACID | B | 2P1O | 0.82 | ![]() |
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 | 0.78 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A,B | 1C1X | 0.78 | ![]() |
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 | 0.78 | ![]() |
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 | 0.78 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1QRP | 0.78 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A | 2CTC | 0.78 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E82 | 0.78 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E81 | 0.78 | ![]() |
FBC![]() | A,B | 2B9A | 0.8 | ![]() | |
ENO![]() | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | H,I | 1A2C | 0.73 | ![]() |
ENO![]() | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | A,B,C | 1CA7 | 0.73 | ![]() |
ENO![]() | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | A,B,C,D | 3GGO | 0.73 | ![]() |
APG![]() | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MRA | 0.78 | ![]() |
APG![]() | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MNS | 0.78 | ![]() |
APG![]() | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1DTN | 0.78 | ![]() |
APG![]() | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MDR | 0.78 | ![]() |
AN1![]() | 3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID | H,Y | 1LO3 | 0.8 | ![]() |
4MA![]() | 4-METHYLBENZOIC ACID | A,H | 2HRG | 0.71 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | B | 1PNL | 0.81 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | B | 1K5Q | 0.81 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | B | 1FXH | 0.81 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | A | 2ISF | 0.81 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | A | 2INE | 0.81 | ![]() |
256![]() | PHENYL(SULFO)ACETIC ACID | A | 1O4Q | 0.71 | ![]() |
BTP![]() | 2-THIOMETHYL-3-PHENYLPROPANOIC ACID | A,B | 1JAO | 0.77 | ![]() |
OST![]() | METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE | C,D,E | 1SQQ | 0.74 | ![]() |
1PA![]() | PHENYLMETHYLACETIC ACID ALANINE | I | 1BHF | 0.7 | ![]() |
ISA![]() | 3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID | A | 1NX3 | 0.74 | ![]() |
ISA![]() | 3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID | A,B | 1ALW | 0.74 | ![]() |
CIN![]() | 4-CARBOXYCINNAMIC ACID | A,B,C,D | 1HAB | 0.71 | ![]() |
CIN![]() | 4-CARBOXYCINNAMIC ACID | A,B | 1T6J | 0.71 | ![]() |
SMN![]() | (S)-MANDELIC ACID | A | 1MDL | 0.75 | ![]() |
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 | ![]() |
BIF![]() | (R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID | G,M,P,S | 1YYL | 0.75 | ![]() |
BIF![]() | (R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID | G,M,P,S | 2I5Y | 0.75 | ![]() |
HSI![]() | (3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID | A | 2Z2D | 0.72 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B | 2Q5O | 0.87 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B | 1LCO | 0.87 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B,C,D,E,F | 2ZF4 | 0.87 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B | 1BW9 | 0.87 | ![]() |
295![]() | (2S,3S)-3-(4-fluorophenyl)-2,3- dihydroxypropanoic acid | A,B | 2RJR | 0.72 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A | 1OS0 | 0.81 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJI | 0.81 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJJ | 0.81 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2VS2 | 0.81 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 1OD1 | 0.81 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | E | 1EPR | 0.81 | ![]() |
FTY![]() | DEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINE | C,D | 1A08 | 0.7 | ![]() |
FTY![]() | DEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINE | C,D,E,F | 1QZ0 | 0.7 | ![]() |
FTY![]() | DEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINE | C,D,E,F | 1XXV | 0.7 | ![]() |
PFF![]() | 4-FLUORO-L-PHENYLALANINE | A | 3F3C | 0.7 | ![]() |
PFF![]() | 4-FLUORO-L-PHENYLALANINE | A,C,E,F | 2UUE | 0.7 | ![]() |
PFF![]() | 4-FLUORO-L-PHENYLALANINE | A | 1ZNT | 0.7 | ![]() |
PFF![]() | 4-FLUORO-L-PHENYLALANINE | F,H | 1OL1 | 0.7 | ![]() |
PFF![]() | 4-FLUORO-L-PHENYLALANINE | A,C,F,H | 2C5V | 0.7 | ![]() |
PFF![]() | 4-FLUORO-L-PHENYLALANINE | E,F | 1OL2 | 0.7 | ![]() |
M5P![]() | (S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID | A,B | 2YZ3 | 0.76 | ![]() |
173![]() | BENZOYL-FORMIC ACID | A,B | 1SZE | 0.8 | ![]() |
TFQ![]() | 4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINE | A | 3D6V | 0.75 | ![]() |
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 | ![]() |
HPK![]() | (3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE | A | 2PUH | 0.73 | ![]() |
DFA![]() | DIPHENYLACETIC ACID | A,B,C | 1GMY | 0.85 | ![]() |
9TA![]() | 1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE | A,B | 1FDG | 0.71 | ![]() |
PIC![]() | 6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE- 2-CARBOXYLIC ACID | A | 1BZJ | 0.74 | ![]() |
RMN![]() | (R)-MANDELIC ACID | A | 1MDL | 0.75 | ![]() |
RMN![]() | (R)-MANDELIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1MCZ | 0.75 | ![]() |
PBF![]() | PARA-(BENZOYL)-PHENYLALANINE | A | 2FR9 | 0.74 | ![]() |
PBF![]() | PARA-(BENZOYL)-PHENYLALANINE | A,B | 1EEN | 0.74 | ![]() |
PBF![]() | PARA-(BENZOYL)-PHENYLALANINE | A | 2HGZ | 0.74 | ![]() |
PBF![]() | PARA-(BENZOYL)-PHENYLALANINE | A | 2FRB | 0.74 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | A | 1THL | 0.8 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | A,B | 2AY7 | 0.8 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | E,I | 1TMN | 0.8 | ![]() |
CPM![]() | S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE | A | 1CPS | 0.71 | ![]() |
BIP![]() | 2-BENZYL-3-IODOPROPANOIC ACID | A,B,C,D | 1BAV | 0.79 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1K5S | 0.81 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1KEC | 0.81 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1K7D | 0.81 | ![]() |
OX1![]() | H,Y | 1LO2 | 0.72 | ![]() | |
IBP![]() | IBUPROFEN | A | 3FKX | 0.81 | ![]() |
IBP![]() | IBUPROFEN | A,B | 2BXG | 0.81 | ![]() |
IBP![]() | IBUPROFEN | A,B | 1EQG | 0.81 | ![]() |
IBP![]() | IBUPROFEN | A,B,C | 2WD9 | 0.81 | ![]() |
IBP![]() | IBUPROFEN | A | 2PWS | 0.81 | ![]() |
OSB![]() | 2-SUCCINYLBENZOATE | A | 1FHV | 0.75 | ![]() |
OSB![]() | 2-SUCCINYLBENZOATE | A,B,C,D | 1SJB | 0.75 | ![]() |
OSB![]() | 2-SUCCINYLBENZOATE | A,B | 2QVH | 0.75 | ![]() |
TRZ![]() | TRAZEOLIDE | A | 1C12 | 0.74 | ![]() |
BFL![]() | A,B | 1Q4G | 0.85 | ![]() | |
ALN![]() | NAPHTHALEN-2-YL-3-ALANINE | A,B,I,J | 2FIV | 0.71 | ![]() |
ALN![]() | NAPHTHALEN-2-YL-3-ALANINE | A,B | 1B0H | 0.71 | ![]() |
ALN![]() | NAPHTHALEN-2-YL-3-ALANINE | B | 1FIV | 0.71 | ![]() |
ALN![]() | NAPHTHALEN-2-YL-3-ALANINE | A,B,I,J | 3FIV | 0.71 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1BXG | 0.81 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1TOG | 0.81 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1V2F | 0.81 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1AHX | 0.81 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A | 1TOI | 0.81 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1AY8 | 0.81 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A | 1TOJ | 0.81 | ![]() |
FL2![]() | FLURBIPROFEN METHYL ESTER | A,B | 1HT5 | 0.83 | ![]() |
BP4![]() | BIPHENYL-4-YL-ACETALDEHYDE | A,B,E,F,G,H | 1MHW | 0.73 | ![]() |
BZQ![]() | DIPHENYLMETHANONE | A,B | 1GT5 | 0.72 | ![]() |
BZQ![]() | DIPHENYLMETHANONE | A,B | 1DZP | 0.72 | ![]() |
NDD![]() | 2,6-DICARBOXYNAPHTHALENE | A | 1U4O | 0.75 | ![]() |
NDD![]() | 2,6-DICARBOXYNAPHTHALENE | A,B,C,D | 1HAC | 0.75 | ![]() |
C0E![]() | 3-fluoro-6-(4-fluorophenyl)-2-hydroxy- 6-oxohexa-2,4-dienoic acid | A | 2RHW | 0.74 | ![]() |
OPH![]() | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPM | 0.75 | ![]() |
OPH![]() | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPL | 0.75 | ![]() |
5PV![]() | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.82 | ![]() |
HPX![]() | (2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID | A,B,C,D | 2DSA | 0.72 | ![]() |
KPV![]() | 5-PHENYL-2-KETO-VALERIC ACID | A,B | 2Q5Q | 0.87 | ![]() |
PPT![]() | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.83 | ![]() |
NIU![]() | 6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE | A | 6UPJ | 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 | ![]() |
NAL![]() | BETA-(2-NAPHTHYL)-ALANINE | A,B | 2ITK | 0.72 | ![]() |
NAL![]() | BETA-(2-NAPHTHYL)-ALANINE | H,I | 4THN | 0.72 | ![]() |
NAL![]() | BETA-(2-NAPHTHYL)-ALANINE | A,B | 2Q5A | 0.72 | ![]() |
NAL![]() | BETA-(2-NAPHTHYL)-ALANINE | A | 1ZWU | 0.72 | ![]() |
NAL![]() | BETA-(2-NAPHTHYL)-ALANINE | A | 1SKL | 0.72 | ![]() |
NAL![]() | BETA-(2-NAPHTHYL)-ALANINE | H,I | 5GDS | 0.72 | ![]() |
NAL![]() | BETA-(2-NAPHTHYL)-ALANINE | A | 1ZH0 | 0.72 | ![]() |
NAL![]() | BETA-(2-NAPHTHYL)-ALANINE | A,B | 2JT9 | 0.72 | ![]() |
2CL![]() | (2,6-DICHLOROPHENYL)ACETIC ACID | A | 2IPW | 0.7 | ![]() |
2CL![]() | (2,6-DICHLOROPHENYL)ACETIC ACID | A | 2IS7 | 0.7 | ![]() |
HPZ![]() | (2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID | A | 2PUJ | 0.72 | ![]() |