Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03250041
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 |
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 | 0.75 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A,B | 1C1X | 0.75 | |
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 | 0.75 | |
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 | 0.75 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1QRP | 0.75 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A | 2CTC | 0.75 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E82 | 0.75 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E81 | 0.75 | |
MBN | TOLUENE | A,B | 3D7O | 0.7 | |
MBN | TOLUENE | A,B | 1R1X | 0.7 | |
MBN | TOLUENE | A,B | 1JLX | 0.7 | |
MBN | TOLUENE | A,B,C,D | 3D17 | 0.7 | |
MBN | TOLUENE | A,B | 2VRL | 0.7 | |
MBN | TOLUENE | A,I | 2Z3E | 0.7 | |
MBN | TOLUENE | A,B | 1YZI | 0.7 | |
MBN | TOLUENE | A,B | 2DN1 | 0.7 | |
MBN | TOLUENE | A,B | 3EN1 | 0.7 | |
SS1 | 1-PHENYLETHANOL | H | 1UM5 | 0.72 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 2F4O | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KJO | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CDR | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C1E | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 5PAD | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | E,F | 1JXQ | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 2CNO | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1CGL | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZ9 | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2K | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 2CNL | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KJP | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2M | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZB | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 9HVP | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1ESB | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | E,F | 1DY8 | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 1PPM | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 1GEC | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KS7 | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | C | 1A8G | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KKK | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | T,U,V,W,X,Y | 1QDU | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 4TMN | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 5TMN | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KTO | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | A,C | 1TG1 | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2AZ8 | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 2G58 | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | Q,R,S,T,U,V | 1F9E | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CJY | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | A,I | 1E8M | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KR6 | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 6TMN | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KRO | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CNN | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2C2O | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1SQZ | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | A,B | 1THE | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | I,J | 2AZC | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | E,I | 5EST | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 2CNK | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | A | 1KL6 | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | I | 6PAD | 0.78 | |
PHQ | FORMIC ACID BENZYL ESTER | B,I | 2C2Z | 0.78 | |
FPR | PROPYLBENZENE | C | 1RHK | 0.73 | |
M5P | (S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID | A,B | 2YZ3 | 0.78 | |
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 | |
UIN | 5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE | B | 5UPJ | 0.73 | |
SMN | (S)-MANDELIC ACID | A | 1MDL | 0.7 | |
FL2 | FLURBIPROFEN METHYL ESTER | A,B | 1HT5 | 0.78 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A,B,M,N | 1FJM | 0.71 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVA | 0.71 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1LCM | 0.71 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A,B,C,D,E,F, G,H | 2NYM | 0.71 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | C,I | 2IE3 | 0.71 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | C,F,X,Y | 2NPP | 0.71 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVC | 0.71 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | C,F,G,H | 3DW8 | 0.71 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A,B,C,D,E,F, G,H | 2NYL | 0.71 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVD | 0.71 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVB | 0.71 | |
RSO | R-STYRENE OXIDE | A,B | 1PWZ | 0.72 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MRA | 0.7 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MNS | 0.7 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1DTN | 0.7 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MDR | 0.7 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1DPM | 0.72 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1P6B | 0.72 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1PSC | 0.72 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 3E3H | 0.72 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1QW7 | 0.72 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1P6C | 0.72 | |
FLP | FLURBIPROFEN | A,B,C,D | 3PGH | 0.74 | |
FLP | FLURBIPROFEN | A,B | 1CQE | 0.74 | |
FLP | FLURBIPROFEN | A,B | 1EQH | 0.74 | |
FLP | FLURBIPROFEN | A,B | 2AYL | 0.74 | |
FLP | FLURBIPROFEN | A | 1DVT | 0.74 | |
FLP | FLURBIPROFEN | A | 1R9O | 0.74 | |
CP5 | (2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}- 2-PHENYLACRYLATE | A | 1SCW | 0.72 | |
OST | METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE | C,D,E | 1SQQ | 0.75 | |
ISA | 3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID | A | 1NX3 | 0.73 | |
ISA | 3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID | A,B | 1ALW | 0.73 | |
PPP | 3-PHENYL-1,2-PROPANDIOL | A,B | 1HRN | 0.75 | |
BDB | A,B | 1KE3 | 0.7 | ||
BTP | 2-THIOMETHYL-3-PHENYLPROPANOIC ACID | A,B | 1JAO | 0.77 | |
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 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A | 1OS0 | 0.84 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJI | 0.84 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJJ | 0.84 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2VS2 | 0.84 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 1OD1 | 0.84 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | E | 1EPR | 0.84 | |
791 | 2-PHENYLMALONIC ACID | A | 1O4P | 0.75 | |
RS7 | (2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID | A,B | 2P0M | 0.73 | |
RS7 | (2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID | A | 1LOX | 0.73 | |
0A9 | methyl L-phenylalaninate | A | 1AY2 | 0.72 | |
0A9 | methyl L-phenylalaninate | I | 5ER1 | 0.72 | |
0A9 | methyl L-phenylalaninate | I,P | 1HDT | 0.72 | |
DFA | DIPHENYLACETIC ACID | A,B,C | 1GMY | 0.76 | |
KPV | 5-PHENYL-2-KETO-VALERIC ACID | A,B | 2Q5Q | 0.78 | |
CPM | S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE | A | 1CPS | 0.75 | |
CVB | 4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID | A,B | 1KE0 | 0.73 | |
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 | |
ARL | 7-(3,5-DITERT-BUTYLPHENYL)-3-METHYLOCTA- 2,4,6-TRIENOIC ACID | A | 1NQ7 | 0.75 | |
IBP | IBUPROFEN | A | 3FKX | 0.8 | |
IBP | IBUPROFEN | A,B | 2BXG | 0.8 | |
IBP | IBUPROFEN | A,B | 1EQG | 0.8 | |
IBP | IBUPROFEN | A,B,C | 2WD9 | 0.8 | |
IBP | IBUPROFEN | A | 2PWS | 0.8 | |
M29 | ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE | A | 2NNV | 0.75 | |
M29 | ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE | A,B | 2NN7 | 0.75 | |
AN1 | 3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID | H,Y | 1LO3 | 0.7 | |
PXY | PARA-XYLENE | A | 187L | 0.71 | |
PXY | PARA-XYLENE | A | 225L | 0.71 | |
PYL | PHENYLETHANE | C | 1B07 | 0.73 | |
PYL | PHENYLETHANE | A,B | 2VRM | 0.73 | |
PYL | PHENYLETHANE | A | 1NHB | 0.73 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K5S | 0.8 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1KEC | 0.8 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K7D | 0.8 | |
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 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZK0 | 0.72 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJZ | 0.72 | |
SS2 | (1R)-1-PHENYLETHANOL | A | 1ZJY | 0.72 | |
TCA | PHENYLETHYLENECARBOXYLIC ACID | A | 1BE6 | 0.74 | |
TCA | PHENYLETHYLENECARBOXYLIC ACID | A | 1BE8 | 0.74 | |
TCA | PHENYLETHYLENECARBOXYLIC ACID | A,B,C,D,E,F, G,H | 2O78 | 0.74 | |
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 | |
I4B | ISOBUTYLBENZENE | A | 184L | 0.76 | |
BFL | A,B | 1Q4G | 0.77 | ||
OBZ | O-benzylhydroxylamine | A,B | 3DTH | 0.72 | |
OBZ | O-benzylhydroxylamine | A,B | 3DTG | 0.72 | |
BIP | 2-BENZYL-3-IODOPROPANOIC ACID | A,B,C,D | 1BAV | 0.8 | |
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 | |
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 | 0.71 | |
N4B | N-BUTYLBENZENE | A | 186L | 0.73 | |
4FA | 4-FLUOROPHENETHYL ALCOHOL | A | 1OWZ | 0.75 | |
3PL | 3-PHENYLPROPANAL | E | 1Y3G | 0.73 | |
PAC | 2-PHENYLACETIC ACID | B | 1PNL | 0.78 | |
PAC | 2-PHENYLACETIC ACID | B | 1K5Q | 0.78 | |
PAC | 2-PHENYLACETIC ACID | B | 1FXH | 0.78 | |
PAC | 2-PHENYLACETIC ACID | A | 2ISF | 0.78 | |
PAC | 2-PHENYLACETIC ACID | A | 2INE | 0.78 | |
MFD | (2S,3S,8S,9S)-3-AMINO-9-METHOXY- 2,6,8-TRIMETHYL-10-PHENYLDECA-4,6- DIENOIC ACID | A | 1AY3 | 0.74 | |
OXE | ORTHO-XYLENE | A,B | 3E0X | 0.71 | |
OXE | ORTHO-XYLENE | A | 188L | 0.71 | |
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 | |
2HR | HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS1 | 0.8 | |
1LP | TRANYLCYPROMINE | A,B | 1OJB | 0.75 | |
2HS | HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS2 | 0.8 | |
12M | (2-ETHYLPHENYL)METHANOL | A,B | 2F62 | 0.72 | |
5PV | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.82 | |
PBA | PHENYLETHANE BORONIC ACID | C,G | 6CHA | 0.73 | |
NIU | 6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE | A | 6UPJ | 0.73 | |
PPT | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 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 | 0.7 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0D | 0.78 | |
PEL | 2-PHENYL-ETHANOL | D,H | 2I0T | 0.78 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1HZY | 0.78 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0B | 0.78 | |
PEL | 2-PHENYL-ETHANOL | A | 1EYW | 0.78 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1JGM | 0.78 | |
BGG | CARBONIC ACID MONOBENZYL ESTER | B,D | 1DLK | 0.76 | |
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 | |
GW5 | (2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID | A,B,C | 1R5K | 0.72 |