Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00740964
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 |
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 | |
1LP | TRANYLCYPROMINE | A,B | 1OJB | 0.71 | |
IBP | IBUPROFEN | A | 3FKX | 0.74 | |
IBP | IBUPROFEN | A,B | 2BXG | 0.74 | |
IBP | IBUPROFEN | A,B | 1EQG | 0.74 | |
IBP | IBUPROFEN | A,B,C | 2WD9 | 0.74 | |
IBP | IBUPROFEN | A | 2PWS | 0.74 | |
SMN | (S)-MANDELIC ACID | A | 1MDL | 0.7 | |
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 | |
CPM | S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE | A | 1CPS | 0.86 | |
M29 | ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE | A | 2NNV | 0.82 | |
M29 | ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE | A,B | 2NN7 | 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 | 0.74 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A,B | 1C1X | 0.74 | |
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 | 0.74 | |
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 | 0.74 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1QRP | 0.74 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A | 2CTC | 0.74 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E82 | 0.74 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E81 | 0.74 | |
OST | METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE | C,D,E | 1SQQ | 0.73 | |
FL2 | FLURBIPROFEN METHYL ESTER | A,B | 1HT5 | 0.74 | |
CP5 | (2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}- 2-PHENYLACRYLATE | A | 1SCW | 0.72 | |
M28 | 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID | A,B | 2NN1 | 0.74 | |
M28 | 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID | A | 2NNO | 0.74 | |
HY1 | PHENYLACETALDEHYDE | D,H | 2I0S | 0.72 | |
HY1 | PHENYLACETALDEHYDE | A,B | 1D6Y | 0.72 | |
HY1 | PHENYLACETALDEHYDE | A,B | 1D6Z | 0.72 | |
HY1 | PHENYLACETALDEHYDE | D,H | 2OK4 | 0.72 | |
HY1 | PHENYLACETALDEHYDE | A,B | 1D6U | 0.72 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B | 2Q5O | 0.76 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B | 1LCO | 0.76 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B,C,D,E,F | 2ZF4 | 0.76 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B | 1BW9 | 0.76 | |
HCI | HYDROCINNAMIC ACID | A,B | 1BXG | 0.8 | |
HCI | HYDROCINNAMIC ACID | A,B | 1TOG | 0.8 | |
HCI | HYDROCINNAMIC ACID | A,B | 1V2F | 0.8 | |
HCI | HYDROCINNAMIC ACID | A,B | 1AHX | 0.8 | |
HCI | HYDROCINNAMIC ACID | A | 1TOI | 0.8 | |
HCI | HYDROCINNAMIC ACID | A,B | 1AY8 | 0.8 | |
HCI | HYDROCINNAMIC ACID | A | 1TOJ | 0.8 | |
FLP | FLURBIPROFEN | A,B,C,D | 3PGH | 0.71 | |
FLP | FLURBIPROFEN | A,B | 1CQE | 0.71 | |
FLP | FLURBIPROFEN | A,B | 1EQH | 0.71 | |
FLP | FLURBIPROFEN | A,B | 2AYL | 0.71 | |
FLP | FLURBIPROFEN | A | 1DVT | 0.71 | |
FLP | FLURBIPROFEN | A | 1R9O | 0.71 | |
791 | 2-PHENYLMALONIC ACID | A | 1O4P | 0.71 | |
PPT | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.79 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A | 1OS0 | 0.79 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJI | 0.79 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJJ | 0.79 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2VS2 | 0.79 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 1OD1 | 0.79 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | E | 1EPR | 0.79 | |
BZS | L-BENZYLSUCCINIC ACID | A | 1CBX | 0.74 | |
BZS | L-BENZYLSUCCINIC ACID | A | 1HYT | 0.74 | |
BZS | L-BENZYLSUCCINIC ACID | A,B | 1WHT | 0.74 | |
5PV | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.79 | |
BTP | 2-THIOMETHYL-3-PHENYLPROPANOIC ACID | A,B | 1JAO | 0.83 | |
3PL | 3-PHENYLPROPANAL | E | 1Y3G | 0.73 | |
BFL | A,B | 1Q4G | 0.73 | ||
DFA | DIPHENYLACETIC ACID | A,B,C | 1GMY | 0.72 | |
CLT | 4-PHENYL-BUTANOIC ACID | A | 1THL | 0.79 | |
CLT | 4-PHENYL-BUTANOIC ACID | A,B | 2AY7 | 0.79 | |
CLT | 4-PHENYL-BUTANOIC ACID | E,I | 1TMN | 0.79 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K5S | 0.76 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1KEC | 0.76 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K7D | 0.76 | |
BIP | 2-BENZYL-3-IODOPROPANOIC ACID | A,B,C,D | 1BAV | 0.76 | |
256 | PHENYL(SULFO)ACETIC ACID | A | 1O4Q | 0.77 | |
M5P | (S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID | A,B | 2YZ3 | 0.82 | |
PTF | [(METHYLSULFANYL)METHYL]BENZENE | C,F | 1RHQ | 0.71 | |
KPV | 5-PHENYL-2-KETO-VALERIC ACID | A,B | 2Q5Q | 0.76 | |
ISA | 3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID | A | 1NX3 | 0.82 | |
ISA | 3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID | A,B | 1ALW | 0.82 | |
RMN | (R)-MANDELIC ACID | A | 1MDL | 0.7 | |
RMN | (R)-MANDELIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1MCZ | 0.7 | |
BZM | BENZOIC ACID PHENYLMETHYLESTER | A,B | 1DZM | 0.71 | |
PAC | 2-PHENYLACETIC ACID | B | 1PNL | 0.77 | |
PAC | 2-PHENYLACETIC ACID | B | 1K5Q | 0.77 | |
PAC | 2-PHENYLACETIC ACID | B | 1FXH | 0.77 | |
PAC | 2-PHENYLACETIC ACID | A | 2ISF | 0.77 | |
PAC | 2-PHENYLACETIC ACID | A | 2INE | 0.77 |