Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02858076
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 |
OSB![]() | 2-SUCCINYLBENZOATE | A | 1FHV | 0.71 | ![]() |
OSB![]() | 2-SUCCINYLBENZOATE | A,B,C,D | 1SJB | 0.71 | ![]() |
OSB![]() | 2-SUCCINYLBENZOATE | A,B | 2QVH | 0.71 | ![]() |
OPH![]() | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPM | 0.81 | ![]() |
OPH![]() | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPL | 0.81 | ![]() |
KPV![]() | 5-PHENYL-2-KETO-VALERIC ACID | A,B | 2Q5Q | 0.74 | ![]() |
295![]() | (2S,3S)-3-(4-fluorophenyl)-2,3- dihydroxypropanoic acid | A,B | 2RJR | 0.79 | ![]() |
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 | ![]() |
PPP![]() | 3-PHENYL-1,2-PROPANDIOL | A,B | 1HRN | 0.7 | ![]() |
S1A![]() | SORAPHEN A | A,B | 3GID | 0.75 | ![]() |
S1A![]() | SORAPHEN A | A,B,C | 1W96 | 0.75 | ![]() |
FLP![]() | FLURBIPROFEN | A,B,C,D | 3PGH | 0.78 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 1CQE | 0.78 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 1EQH | 0.78 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 2AYL | 0.78 | ![]() |
FLP![]() | FLURBIPROFEN | A | 1DVT | 0.78 | ![]() |
FLP![]() | FLURBIPROFEN | A | 1R9O | 0.78 | ![]() |
564![]() | 6-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTALENE-2-CARBONYL)- NAPHTALENE-2-CARBOXYLIC ACID | A | 1FCY | 0.7 | ![]() |
791![]() | 2-PHENYLMALONIC ACID | A | 1O4P | 0.78 | ![]() |
5PV![]() | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.72 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A | 1OS0 | 0.72 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJI | 0.72 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJJ | 0.72 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2VS2 | 0.72 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 1OD1 | 0.72 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | E | 1EPR | 0.72 | ![]() |
OST![]() | METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE | C,D,E | 1SQQ | 0.73 | ![]() |
BFL![]() | A,B | 1Q4G | 0.8 | ![]() | |
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 | ![]() |
RMN![]() | (R)-MANDELIC ACID | A | 1MDL | 0.79 | ![]() |
RMN![]() | (R)-MANDELIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1MCZ | 0.79 | ![]() |
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 | ![]() |
APG![]() | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MRA | 0.77 | ![]() |
APG![]() | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MNS | 0.77 | ![]() |
APG![]() | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1DTN | 0.77 | ![]() |
APG![]() | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MDR | 0.77 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | A | 1THL | 0.7 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | A,B | 2AY7 | 0.7 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | E,I | 1TMN | 0.7 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B | 2Q5O | 0.74 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B | 1LCO | 0.74 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B,C,D,E,F | 2ZF4 | 0.74 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B | 1BW9 | 0.74 | ![]() |
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 | ![]() |
PPT![]() | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.74 | ![]() |
173![]() | BENZOYL-FORMIC ACID | A,B | 1SZE | 0.72 | ![]() |
BZS![]() | L-BENZYLSUCCINIC ACID | A | 1CBX | 0.75 | ![]() |
BZS![]() | L-BENZYLSUCCINIC ACID | A | 1HYT | 0.75 | ![]() |
BZS![]() | L-BENZYLSUCCINIC ACID | A,B | 1WHT | 0.75 | ![]() |
TRZ![]() | TRAZEOLIDE | A | 1C12 | 0.72 | ![]() |
RP4![]() | (1S,4S,5S)-1,4,5-TRIHYDROXY-3-[3- (PHENYLTHIO)PHENYL]CYCLOHEX-2-ENE- 1-CARBOXYLIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 2CJF | 0.75 | ![]() |
SMN![]() | (S)-MANDELIC ACID | A | 1MDL | 0.79 | ![]() |
ELI![]() | 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID | A,B | 2GH5 | 0.74 | ![]() |
OX1![]() | H,Y | 1LO2 | 0.73 | ![]() | |
FL2![]() | FLURBIPROFEN METHYL ESTER | A,B | 1HT5 | 0.76 | ![]() |
OIN![]() | (1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT- 3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE | A | 1TH6 | 0.71 | ![]() |
OIN![]() | (1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT- 3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE | A | 2ARM | 0.71 | ![]() |
4FC![]() | A | 1YSG | 0.7 | ![]() | |
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 | 0.73 | ![]() |
PHT![]() | PHTHALIC ACID | A,B,C | 2B7P | 0.7 | ![]() |
PHT![]() | PHTHALIC ACID | A | 3C2V | 0.7 | ![]() |
PHT![]() | PHTHALIC ACID | A,B,C,D,E,F | 1QPR | 0.7 | ![]() |
PHT![]() | PHTHALIC ACID | A,B | 3C2R | 0.7 | ![]() |
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 | 0.82 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A,B | 1C1X | 0.82 | ![]() |
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 | 0.82 | ![]() |
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 | 0.82 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1QRP | 0.82 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A | 2CTC | 0.82 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E82 | 0.82 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E81 | 0.82 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | B | 1PNL | 0.74 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | B | 1K5Q | 0.74 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | B | 1FXH | 0.74 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | A | 2ISF | 0.74 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | A | 2INE | 0.74 | ![]() |
NLA![]() | NAPHTHALEN-1-YL-ACETIC ACID | A,B,C,D | 1LRH | 0.74 | ![]() |
NLA![]() | NAPHTHALEN-1-YL-ACETIC ACID | B | 2P1O | 0.74 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1BXG | 0.71 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1TOG | 0.71 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1V2F | 0.71 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1AHX | 0.71 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A | 1TOI | 0.71 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1AY8 | 0.71 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A | 1TOJ | 0.71 | ![]() |
AN1![]() | 3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID | H,Y | 1LO3 | 0.73 | ![]() |
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 | ![]() |
HHH![]() | (2S)-hydroxy(4-hydroxyphenyl)ethanoic acid | A,B | 2R5V | 0.73 | ![]() |
DFA![]() | DIPHENYLACETIC ACID | A,B,C | 1GMY | 0.78 | ![]() |