Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02223600
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 |
AN1![]() | 3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID | H,Y | 1LO3 | 0.71 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A,I | 2F4O | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 1KJO | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2CDR | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2C1E | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 5PAD | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | E,F | 1JXQ | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 2CNO | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A,B | 1CGL | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2AZ9 | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2C2K | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A,I | 2CNL | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 1KJP | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2C2M | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2AZB | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 9HVP | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 1ESB | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | E,F | 1DY8 | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | E,I | 1PPM | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 1GEC | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 1KS7 | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | C | 1A8G | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 1KKK | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | T,U,V,W,X,Y | 1QDU | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | E,I | 4TMN | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | E,I | 5TMN | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 1KTO | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A,C | 1TG1 | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2AZ8 | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A,B | 2G58 | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | Q,R,S,T,U,V | 1F9E | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2CJY | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A,I | 1E8M | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 1KR6 | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | E,I | 6TMN | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 1KRO | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2CNN | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2C2O | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A,B | 1SQZ | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A,B | 1THE | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I,J | 2AZC | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | E,I | 5EST | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 2CNK | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | A | 1KL6 | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | I | 6PAD | 0.7 | ![]() |
PHQ![]() | FORMIC ACID BENZYL ESTER | B,I | 2C2Z | 0.7 | ![]() |
173![]() | BENZOYL-FORMIC ACID | A,B | 1SZE | 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 | ![]() |
ENO![]() | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | H,I | 1A2C | 0.7 | ![]() |
ENO![]() | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | A,B,C | 1CA7 | 0.7 | ![]() |
ENO![]() | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | A,B,C,D | 3GGO | 0.7 | ![]() |
HY1![]() | PHENYLACETALDEHYDE | D,H | 2I0S | 0.74 | ![]() |
HY1![]() | PHENYLACETALDEHYDE | A,B | 1D6Y | 0.74 | ![]() |
HY1![]() | PHENYLACETALDEHYDE | A,B | 1D6Z | 0.74 | ![]() |
HY1![]() | PHENYLACETALDEHYDE | D,H | 2OK4 | 0.74 | ![]() |
HY1![]() | PHENYLACETALDEHYDE | A,B | 1D6U | 0.74 | ![]() |
OST![]() | METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE | C,D,E | 1SQQ | 0.77 | ![]() |
M5P![]() | (S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID | A,B | 2YZ3 | 0.77 | ![]() |
BZM![]() | BENZOIC ACID PHENYLMETHYLESTER | A,B | 1DZM | 0.73 | ![]() |
SMN![]() | (S)-MANDELIC ACID | A | 1MDL | 0.78 | ![]() |
0A9![]() | methyl L-phenylalaninate | A | 1AY2 | 0.74 | ![]() |
0A9![]() | methyl L-phenylalaninate | I | 5ER1 | 0.74 | ![]() |
0A9![]() | methyl L-phenylalaninate | I,P | 1HDT | 0.74 | ![]() |
HHH![]() | (2S)-hydroxy(4-hydroxyphenyl)ethanoic acid | A,B | 2R5V | 0.71 | ![]() |
CPM![]() | S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE | A | 1CPS | 0.74 | ![]() |
ISA![]() | 3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID | A | 1NX3 | 0.75 | ![]() |
ISA![]() | 3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID | A,B | 1ALW | 0.75 | ![]() |
IBP![]() | IBUPROFEN | A | 3FKX | 0.78 | ![]() |
IBP![]() | IBUPROFEN | A,B | 2BXG | 0.78 | ![]() |
IBP![]() | IBUPROFEN | A,B | 1EQG | 0.78 | ![]() |
IBP![]() | IBUPROFEN | A,B,C | 2WD9 | 0.78 | ![]() |
IBP![]() | IBUPROFEN | A | 2PWS | 0.78 | ![]() |
GRR![]() | (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid | A | 3CDS | 0.71 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1K5S | 0.78 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1KEC | 0.78 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1K7D | 0.78 | ![]() |
BIP![]() | 2-BENZYL-3-IODOPROPANOIC ACID | A,B,C,D | 1BAV | 0.78 | ![]() |
M29![]() | ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE | A | 2NNV | 0.79 | ![]() |
M29![]() | ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE | A,B | 2NN7 | 0.79 | ![]() |
791![]() | 2-PHENYLMALONIC ACID | A | 1O4P | 0.75 | ![]() |
UIN![]() | 5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE | B | 5UPJ | 0.72 | ![]() |
FLP![]() | FLURBIPROFEN | A,B,C,D | 3PGH | 0.73 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 1CQE | 0.73 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 1EQH | 0.73 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 2AYL | 0.73 | ![]() |
FLP![]() | FLURBIPROFEN | A | 1DVT | 0.73 | ![]() |
FLP![]() | FLURBIPROFEN | A | 1R9O | 0.73 | ![]() |
HPK![]() | (3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE | A | 2PUH | 0.76 | ![]() |
KPV![]() | 5-PHENYL-2-KETO-VALERIC ACID | A,B | 2Q5Q | 0.82 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | A | 1THL | 0.82 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | A,B | 2AY7 | 0.82 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | E,I | 1TMN | 0.82 | ![]() |
NIU![]() | 6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE | A | 6UPJ | 0.72 | ![]() |
OPH![]() | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPM | 0.86 | ![]() |
OPH![]() | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPL | 0.86 | ![]() |
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 | 0.83 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A,B | 1C1X | 0.83 | ![]() |
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 | 0.83 | ![]() |
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 | 0.83 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1QRP | 0.83 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A | 2CTC | 0.83 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E82 | 0.83 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E81 | 0.83 | ![]() |
M28![]() | 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID | A,B | 2NN1 | 0.71 | ![]() |
M28![]() | 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID | A | 2NNO | 0.71 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1BXG | 0.83 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1TOG | 0.83 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1V2F | 0.83 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1AHX | 0.83 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A | 1TOI | 0.83 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1AY8 | 0.83 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A | 1TOJ | 0.83 | ![]() |
FL2![]() | FLURBIPROFEN METHYL ESTER | A,B | 1HT5 | 0.76 | ![]() |
DFA![]() | DIPHENYLACETIC ACID | A,B,C | 1GMY | 0.75 | ![]() |
NLA![]() | NAPHTHALEN-1-YL-ACETIC ACID | A,B,C,D | 1LRH | 0.7 | ![]() |
NLA![]() | NAPHTHALEN-1-YL-ACETIC ACID | B | 2P1O | 0.7 | ![]() |
1LP![]() | TRANYLCYPROMINE | A,B | 1OJB | 0.73 | ![]() |
BZS![]() | L-BENZYLSUCCINIC ACID | A | 1CBX | 0.78 | ![]() |
BZS![]() | L-BENZYLSUCCINIC ACID | A | 1HYT | 0.78 | ![]() |
BZS![]() | L-BENZYLSUCCINIC ACID | A,B | 1WHT | 0.78 | ![]() |
4MA![]() | 4-METHYLBENZOIC ACID | A,H | 2HRG | 0.7 | ![]() |
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 | ![]() |
3PL![]() | 3-PHENYLPROPANAL | E | 1Y3G | 0.75 | ![]() |
BTP![]() | 2-THIOMETHYL-3-PHENYLPROPANOIC ACID | A,B | 1JAO | 0.76 | ![]() |
BFL![]() | A,B | 1Q4G | 0.75 | ![]() | |
256![]() | PHENYL(SULFO)ACETIC ACID | A | 1O4Q | 0.72 | ![]() |
ELI![]() | 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID | A,B | 2GH5 | 0.72 | ![]() |
5PV![]() | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.82 | ![]() |
CP5![]() | (2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}- 2-PHENYLACRYLATE | A | 1SCW | 0.76 | ![]() |
HPX![]() | (2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID | A,B,C,D | 2DSA | 0.72 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A | 1OS0 | 0.82 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJI | 0.82 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJJ | 0.82 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2VS2 | 0.82 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 1OD1 | 0.82 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | E | 1EPR | 0.82 | ![]() |
C1E![]() | (2Z,4E)-3-chloro-2-hydroxy-6-oxo- 6-phenylhexa-2,4-dienoic acid | A | 2RHT | 0.7 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B | 2Q5O | 0.82 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B | 1LCO | 0.82 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B,C,D,E,F | 2ZF4 | 0.82 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B | 1BW9 | 0.82 | ![]() |
PPT![]() | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.82 | ![]() |
CIN![]() | 4-CARBOXYCINNAMIC ACID | A,B,C,D | 1HAB | 0.7 | ![]() |
CIN![]() | 4-CARBOXYCINNAMIC ACID | A,B | 1T6J | 0.7 | ![]() |
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 | ![]() |
295![]() | (2S,3S)-3-(4-fluorophenyl)-2,3- dihydroxypropanoic acid | A,B | 2RJR | 0.75 | ![]() |
HPZ![]() | (2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID | A | 2PUJ | 0.72 | ![]() |