Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02370239
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 |
UIN | 5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE | B | 5UPJ | 0.75 | |
BZM | BENZOIC ACID PHENYLMETHYLESTER | A,B | 1DZM | 0.74 | |
BTP | 2-THIOMETHYL-3-PHENYLPROPANOIC ACID | A,B | 1JAO | 0.73 | |
PPT | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.78 | |
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 | |
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 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A | 1OS0 | 0.78 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJI | 0.78 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJJ | 0.78 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2VS2 | 0.78 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 1OD1 | 0.78 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | E | 1EPR | 0.78 | |
NDD | 2,6-DICARBOXYNAPHTHALENE | A | 1U4O | 0.76 | |
NDD | 2,6-DICARBOXYNAPHTHALENE | A,B,C,D | 1HAC | 0.76 | |
AN1 | 3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID | H,Y | 1LO3 | 0.88 | |
FLP | FLURBIPROFEN | A,B,C,D | 3PGH | 0.77 | |
FLP | FLURBIPROFEN | A,B | 1CQE | 0.77 | |
FLP | FLURBIPROFEN | A,B | 1EQH | 0.77 | |
FLP | FLURBIPROFEN | A,B | 2AYL | 0.77 | |
FLP | FLURBIPROFEN | A | 1DVT | 0.77 | |
FLP | FLURBIPROFEN | A | 1R9O | 0.77 | |
ALN | NAPHTHALEN-2-YL-3-ALANINE | A,B,I,J | 2FIV | 0.75 | |
ALN | NAPHTHALEN-2-YL-3-ALANINE | A,B | 1B0H | 0.75 | |
ALN | NAPHTHALEN-2-YL-3-ALANINE | B | 1FIV | 0.75 | |
ALN | NAPHTHALEN-2-YL-3-ALANINE | A,B,I,J | 3FIV | 0.75 | |
791 | 2-PHENYLMALONIC ACID | A | 1O4P | 0.72 | |
5PV | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.78 | |
2NA | naphthalen-2-ylmethanol | A,B,C | 3EE5 | 0.72 | |
BM6 | 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID | A | 1MVC | 0.73 | |
BM6 | 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID | A,C,E,G | 1MZN | 0.73 | |
BIP | 2-BENZYL-3-IODOPROPANOIC ACID | A,B,C,D | 1BAV | 0.75 | |
BFL | A,B | 1Q4G | 0.79 | ||
KPV | 5-PHENYL-2-KETO-VALERIC ACID | A,B | 2Q5Q | 0.75 | |
R13 | 3-METHYL-7-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL) -OCTA-2,4,6-TRIENOIC ACID | A | 2CBS | 0.74 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B | 2Q5O | 0.73 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B | 1LCO | 0.73 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B,C,D,E,F | 2ZF4 | 0.73 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B | 1BW9 | 0.73 | |
IN4 | +/-METHYL 4-(AMINOIMINOMETHYL)- BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE | A | 1AZ8 | 0.73 | |
BNA | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | I | 4ER1 | 0.85 | |
BNA | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | A | 1FQ5 | 0.85 | |
DFA | DIPHENYLACETIC ACID | A,B,C | 1GMY | 0.79 | |
LLG | 2-aminoethyl naphthalen-1-ylacetate | A | 3BC4 | 0.83 | |
ELI | 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID | A,B | 2GH5 | 0.76 | |
NPS | (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | A | 2VDB | 0.71 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K5S | 0.77 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1KEC | 0.77 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K7D | 0.77 | |
156 | 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID | A | 1FCZ | 0.73 | |
M5P | (S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID | A,B | 2YZ3 | 0.74 | |
TBC | (9S,10R)-9-HYDROXY-7,8,9,10-TETRAHYDROBENZO[A]PYRENE | A | 1N8C | 0.71 | |
IBP | IBUPROFEN | A | 3FKX | 0.77 | |
IBP | IBUPROFEN | A,B | 2BXG | 0.77 | |
IBP | IBUPROFEN | A,B | 1EQG | 0.77 | |
IBP | IBUPROFEN | A,B,C | 2WD9 | 0.77 | |
IBP | IBUPROFEN | A | 2PWS | 0.77 | |
184 | 6-[HYDROXY-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTALEN-2- YL)-METHYL]-NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCX | 0.74 | |
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 | |
564 | 6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCY | 0.73 | |
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 | |
NAL | BETA-(2-NAPHTHYL)-ALANINE | A,B | 2ITK | 0.75 | |
NAL | BETA-(2-NAPHTHYL)-ALANINE | H,I | 4THN | 0.75 | |
NAL | BETA-(2-NAPHTHYL)-ALANINE | A,B | 2Q5A | 0.75 | |
NAL | BETA-(2-NAPHTHYL)-ALANINE | A | 1ZWU | 0.75 | |
NAL | BETA-(2-NAPHTHYL)-ALANINE | A | 1SKL | 0.75 | |
NAL | BETA-(2-NAPHTHYL)-ALANINE | H,I | 5GDS | 0.75 | |
NAL | BETA-(2-NAPHTHYL)-ALANINE | A | 1ZH0 | 0.75 | |
NAL | BETA-(2-NAPHTHYL)-ALANINE | A,B | 2JT9 | 0.75 | |
PAC | 2-PHENYLACETIC ACID | B | 1PNL | 0.75 | |
PAC | 2-PHENYLACETIC ACID | B | 1K5Q | 0.75 | |
PAC | 2-PHENYLACETIC ACID | B | 1FXH | 0.75 | |
PAC | 2-PHENYLACETIC ACID | A | 2ISF | 0.75 | |
PAC | 2-PHENYLACETIC ACID | A | 2INE | 0.75 | |
3PL | 3-PHENYLPROPANAL | E | 1Y3G | 0.7 | |
BZS | L-BENZYLSUCCINIC ACID | A | 1CBX | 0.73 | |
BZS | L-BENZYLSUCCINIC ACID | A | 1HYT | 0.73 | |
BZS | L-BENZYLSUCCINIC ACID | A,B | 1WHT | 0.73 | |
NLA | NAPHTHALEN-1-YL-ACETIC ACID | A,B,C,D | 1LRH | 0.85 | |
NLA | NAPHTHALEN-1-YL-ACETIC ACID | B | 2P1O | 0.85 | |
1LP | TRANYLCYPROMINE | A,B | 1OJB | 0.72 | |
9TA | 1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE | A,B | 1FDG | 0.71 | |
OX1 | H,Y | 1LO2 | 0.73 | ||
NHL | (4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID | A | 2OHV | 0.73 | |
ANQ | ACENAPHTHENEQUINONE | H,J | 1OAX | 0.72 | |
CPM | S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE | A | 1CPS | 0.71 | |
GW5 | (2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID | A,B,C | 1R5K | 0.7 | |
FL2 | FLURBIPROFEN METHYL ESTER | A,B | 1HT5 | 0.82 | |
L79 | (S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO- 1-BENZOFURAN-2-YL]-2-PROPENOIC ACID | A,D | 1RDT | 0.72 | |
NIU | 6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE | A | 6UPJ | 0.75 | |
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 | |
OPH | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPM | 0.74 | |
OPH | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPL | 0.74 | |
M29 | ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE | A | 2NNV | 0.72 | |
M29 | ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE | A,B | 2NN7 | 0.72 | |
OST | METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE | C,D,E | 1SQQ | 0.83 | |
BP4 | BIPHENYL-4-YL-ACETALDEHYDE | A,B,E,F,G,H | 1MHW | 0.74 |