Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03130249
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 |
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 | 0.7 | |
OHP | (2-HYDROXYPHENYL)ACETIC ACID | A | 2INZ | 0.71 | |
DFA | DIPHENYLACETIC ACID | A,B,C | 1GMY | 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 | 0.75 | |
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 | |
156 | 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL- 5,6,7,8-TETRAHYDRO-NAPHTHALEN-2- YL)-PROPENYL]-BENZOIC ACID | A | 1FCZ | 0.72 | |
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 | |
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 | |
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 | |
FBC | A,B | 2B9A | 0.71 | ||
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K5S | 0.84 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1KEC | 0.84 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K7D | 0.84 | |
M28 | 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID | A,B | 2NN1 | 0.7 | |
M28 | 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID | A | 2NNO | 0.7 | |
NIU | 6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE | A | 6UPJ | 0.76 | |
IBP | IBUPROFEN | A | 3FKX | 0.84 | |
IBP | IBUPROFEN | A,B | 2BXG | 0.84 | |
IBP | IBUPROFEN | A,B | 1EQG | 0.84 | |
IBP | IBUPROFEN | A,B,C | 2WD9 | 0.84 | |
IBP | IBUPROFEN | A | 2PWS | 0.84 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MRA | 0.74 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MNS | 0.74 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1DTN | 0.74 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MDR | 0.74 | |
IGL | ALPHA-AMINO-2-INDANACETIC ACID | A | 1BDK | 0.71 | |
LLG | 2-aminoethyl naphthalen-1-ylacetate | A | 3BC4 | 0.71 | |
FL2 | FLURBIPROFEN METHYL ESTER | A,B | 1HT5 | 0.78 | |
VK3 | MENADIONE | A | 1TUV | 0.71 | |
VK3 | MENADIONE | A,B | 2QR2 | 0.71 | |
PMA | PYROMELLITIC ACID | A,B | 1FUP | 0.73 | |
26C | A,B | 2F7I | 0.71 | ||
ALN | NAPHTHALEN-2-YL-3-ALANINE | A,B,I,J | 2FIV | 0.7 | |
ALN | NAPHTHALEN-2-YL-3-ALANINE | A,B | 1B0H | 0.7 | |
ALN | NAPHTHALEN-2-YL-3-ALANINE | B | 1FIV | 0.7 | |
ALN | NAPHTHALEN-2-YL-3-ALANINE | A,B,I,J | 3FIV | 0.7 | |
S1A | SORAPHEN A | A,B | 3GID | 0.7 | |
S1A | SORAPHEN A | A,B,C | 1W96 | 0.7 | |
AN1 | 3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID | H,Y | 1LO3 | 0.8 | |
BTP | 2-THIOMETHYL-3-PHENYLPROPANOIC ACID | A,B | 1JAO | 0.78 | |
NLA | NAPHTHALEN-1-YL-ACETIC ACID | A,B,C,D | 1LRH | 0.81 | |
NLA | NAPHTHALEN-1-YL-ACETIC ACID | B | 2P1O | 0.81 | |
OST | METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE | C,D,E | 1SQQ | 0.75 | |
R12 | 9-(4-HYDROXY-2,6-DIMETHYL-PHENYL)- 3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID | A | 3CBS | 0.7 | |
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 | |
BZS | L-BENZYLSUCCINIC ACID | A | 1CBX | 0.88 | |
BZS | L-BENZYLSUCCINIC ACID | A | 1HYT | 0.88 | |
BZS | L-BENZYLSUCCINIC ACID | A,B | 1WHT | 0.88 | |
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 | |
BFL | A,B | 1Q4G | 0.82 | ||
HMF | 2-AMINO-4-PHENYL-BUTYRIC ACID | I,J | 1AY6 | 0.7 | |
KPV | 5-PHENYL-2-KETO-VALERIC ACID | A,B | 2Q5Q | 0.78 | |
RMN | (R)-MANDELIC ACID | A | 1MDL | 0.71 | |
RMN | (R)-MANDELIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1MCZ | 0.71 | |
HPE | HOMOPHENYLALANINE | A,B | 1B1H | 0.7 | |
173 | BENZOYL-FORMIC ACID | A,B | 1SZE | 0.72 | |
4FC | A | 1YSG | 0.72 | ||
PHT | PHTHALIC ACID | A,B,C | 2B7P | 0.77 | |
PHT | PHTHALIC ACID | A | 3C2V | 0.77 | |
PHT | PHTHALIC ACID | A,B,C,D,E,F | 1QPR | 0.77 | |
PHT | PHTHALIC ACID | A,B | 3C2R | 0.77 | |
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 | |
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 | |
DMW | 2,3-DIMETHYL-1,4-NAPHTHOQUINONE | A,B,C,D,E,F | 2BS4 | 0.71 | |
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 | |
MQ9 | MENAQUINONE-9 | C,H,L,M | 3D38 | 0.71 | |
MQ9 | MENAQUINONE-9 | C,H,L,M | 1VRN | 0.71 | |
MQ9 | MENAQUINONE-9 | C,H,L,M | 2I5N | 0.71 | |
MQ9 | MENAQUINONE-9 | C,H,L,M,U | 1DXR | 0.71 | |
ELI | 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID | A,B | 2GH5 | 0.84 | |
BNA | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | I | 4ER1 | 0.79 | |
BNA | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | A | 1FQ5 | 0.79 | |
SMN | (S)-MANDELIC ACID | A | 1MDL | 0.71 | |
HSI | (3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID | A | 2Z2D | 0.7 | |
MFD | (2S,3S,8S,9S)-3-AMINO-9-METHOXY- 2,6,8-TRIMETHYL-10-PHENYLDECA-4,6- DIENOIC ACID | A | 1AY3 | 0.7 | |
BIP | 2-BENZYL-3-IODOPROPANOIC ACID | A,B,C,D | 1BAV | 0.8 | |
M5P | (S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID | A,B | 2YZ3 | 0.79 | |
HE7 | 4-{[(14beta,17alpha)-3-hydroxyestra- 1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid | A,B,C,D | 2Z77 | 0.71 | |
OSB | 2-SUCCINYLBENZOATE | A | 1FHV | 0.77 | |
OSB | 2-SUCCINYLBENZOATE | A,B,C,D | 1SJB | 0.77 | |
OSB | 2-SUCCINYLBENZOATE | A,B | 2QVH | 0.77 | |
791 | 2-PHENYLMALONIC ACID | A | 1O4P | 0.81 | |
CPM | S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE | A | 1CPS | 0.76 | |
23N | (2R)-2-benzyl-3-nitropropanoic acid | A | 2RFH | 0.71 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 1PRC | 0.71 | |
MQ7 | MENAQUINONE-7 | A,B,D,M,N,P | 2B76 | 0.71 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 5PRC | 0.71 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 7PRC | 0.71 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 2PRC | 0.71 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 1R2C | 0.71 | |
MQ7 | MENAQUINONE-7 | A,B,C,E,F,G | 2VPW | 0.71 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 3PRC | 0.71 | |
MQ7 | MENAQUINONE-7 | A,B,D,M,N,O,P | 1L0V | 0.71 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 2JBL | 0.71 | |
MQ7 | MENAQUINONE-7 | C,H,L,M | 6PRC | 0.71 | |
CIN | 4-CARBOXYCINNAMIC ACID | A,B,C,D | 1HAB | 0.72 | |
CIN | 4-CARBOXYCINNAMIC ACID | A,B | 1T6J | 0.72 | |
OX1 | H,Y | 1LO2 | 0.77 | ||
UIN | 5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE | B | 5UPJ | 0.76 | |
ODE | DIETHYL (1R,2S,3R,4S)-5,6-BIS(4- HYDROXYPHENYL)-7-OXABICYCLO[2.2.1]HEPT- 5-ENE-2,3-DICARBOXYLATE | A,B | 2QH6 | 0.72 | |
256 | PHENYL(SULFO)ACETIC ACID | A | 1O4Q | 0.72 | |
5PV | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.82 | |
NDD | 2,6-DICARBOXYNAPHTHALENE | A | 1U4O | 0.74 | |
NDD | 2,6-DICARBOXYNAPHTHALENE | A,B,C,D | 1HAC | 0.74 | |
4MA | 4-METHYLBENZOIC ACID | A,H | 2HRG | 0.72 | |
PQN | PHYLLOQUINONE | A,B,C,F,I,J, K,L,M,X | 1JB0 | 0.73 | |
PQN | PHYLLOQUINONE | 1,2,3,4,A,B, C,F,G,H,I,J, K,L | 2O01 | 0.73 | |
PQN | PHYLLOQUINONE | A,B,C,F,K,L | 2PPS | 0.73 | |
PQN | PHYLLOQUINONE | A,B,C,F,K,L | 1C51 | 0.73 | |
PQN | PHYLLOQUINONE | 0,1,2,3,4,5, 6,7,8,9,A,B, C,F,G,H,J,K, L,P,Q,R,U,V, W,Z | 1QZV | 0.73 | |
4CB | 4-CARBOXYPHENYLBORONIC ACID | A,B | 1KDW | 0.7 | |
FLP | FLURBIPROFEN | A,B,C,D | 3PGH | 0.8 | |
FLP | FLURBIPROFEN | A,B | 1CQE | 0.8 | |
FLP | FLURBIPROFEN | A,B | 1EQH | 0.8 | |
FLP | FLURBIPROFEN | A,B | 2AYL | 0.8 | |
FLP | FLURBIPROFEN | A | 1DVT | 0.8 | |
FLP | FLURBIPROFEN | A | 1R9O | 0.8 | |
MQ8 | MENAQUINONE 8 | C,H,L,M | 1EYS | 0.71 | |
PPT | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.82 | |
TRZ | TRAZEOLIDE | A | 1C12 | 0.75 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A,B,M,N | 1FJM | 0.72 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVA | 0.72 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1LCM | 0.72 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A,B,C,D,E,F, G,H | 2NYM | 0.72 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | C,I | 2IE3 | 0.72 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | C,F,X,Y | 2NPP | 0.72 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVC | 0.72 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | C,F,G,H | 3DW8 | 0.72 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A,B,C,D,E,F, G,H | 2NYL | 0.72 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVD | 0.72 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVB | 0.72 |