Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03541354
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 |
CPM![]() | S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE | A | 1CPS | 0.77 | ![]() |
AN1![]() | 3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID | H,Y | 1LO3 | 0.71 | ![]() |
SMF![]() | 4-SULFOMETHYL-L-PHENYLALANINE | D,H | 1O0D | 0.77 | ![]() |
SMF![]() | 4-SULFOMETHYL-L-PHENYLALANINE | D,H | 2FES | 0.77 | ![]() |
SMF![]() | 4-SULFOMETHYL-L-PHENYLALANINE | H,P | 2ANK | 0.77 | ![]() |
SMF![]() | 4-SULFOMETHYL-L-PHENYLALANINE | D,H | 2FEQ | 0.77 | ![]() |
SMF![]() | 4-SULFOMETHYL-L-PHENYLALANINE | H,P | 2A2X | 0.77 | ![]() |
SMF![]() | 4-SULFOMETHYL-L-PHENYLALANINE | D,H | 1NZQ | 0.77 | ![]() |
M29![]() | ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE | A | 2NNV | 0.8 | ![]() |
M29![]() | ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE | A,B | 2NN7 | 0.8 | ![]() |
TSU![]() | PARA-TOLUENE SULFONATE | A,B | 1WUW | 0.71 | ![]() |
TSU![]() | PARA-TOLUENE SULFONATE | A | 1B0D | 0.71 | ![]() |
173![]() | BENZOYL-FORMIC ACID | A,B | 1SZE | 0.7 | ![]() |
256![]() | PHENYL(SULFO)ACETIC ACID | A | 1O4Q | 0.87 | ![]() |
NLA![]() | NAPHTHALEN-1-YL-ACETIC ACID | A,B,C,D | 1LRH | 0.71 | ![]() |
NLA![]() | NAPHTHALEN-1-YL-ACETIC ACID | B | 2P1O | 0.71 | ![]() |
CXA![]() | PHENYLALANINE-N-SULFONAMIDE | A | 1IY7 | 0.7 | ![]() |
BIP![]() | 2-BENZYL-3-IODOPROPANOIC ACID | A,B,C,D | 1BAV | 0.78 | ![]() |
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 | ![]() |
BBS![]() | 4-TERT-BUTYLBENZENESULFONIC ACID | B | 1EOJ | 0.72 | ![]() |
BBS![]() | 4-TERT-BUTYLBENZENESULFONIC ACID | B | 1EOL | 0.72 | ![]() |
791![]() | 2-PHENYLMALONIC ACID | A | 1O4P | 0.75 | ![]() |
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 | ![]() |
KPV![]() | 5-PHENYL-2-KETO-VALERIC ACID | A,B | 2Q5Q | 0.78 | ![]() |
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 | ![]() |
EMT![]() | 2-(ETHYLMERCURI-THIO)-BENZOIC ACID | A,B | 1KDG | 0.75 | ![]() |
EMT![]() | 2-(ETHYLMERCURI-THIO)-BENZOIC ACID | A,B,C,D | 1O9L | 0.75 | ![]() |
BNA![]() | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | I | 4ER1 | 0.71 | ![]() |
BNA![]() | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | A | 1FQ5 | 0.71 | ![]() |
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 | ![]() |
BPS![]() | A,B | 2DE4 | 0.73 | ![]() | |
ISA![]() | 3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID | A | 1NX3 | 0.79 | ![]() |
ISA![]() | 3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID | A,B | 1ALW | 0.79 | ![]() |
M28![]() | 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID | A,B | 2NN1 | 0.88 | ![]() |
M28![]() | 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID | A | 2NNO | 0.88 | ![]() |
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 | ![]() |
DFA![]() | DIPHENYLACETIC ACID | A,B,C | 1GMY | 0.75 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A | 1OS0 | 0.8 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJI | 0.8 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJJ | 0.8 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2VS2 | 0.8 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 1OD1 | 0.8 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | E | 1EPR | 0.8 | ![]() |
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 | ![]() |
BTP![]() | 2-THIOMETHYL-3-PHENYLPROPANOIC ACID | A,B | 1JAO | 0.81 | ![]() |
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 | ![]() |
PPT![]() | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.8 | ![]() |
ELI![]() | 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID | A,B | 2GH5 | 0.72 | ![]() |
5PV![]() | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.82 | ![]() |
TOS![]() | P-SULFINOTOLUENE | H | 1ETT | 0.7 | ![]() |
TOS![]() | P-SULFINOTOLUENE | I | 4PAD | 0.7 | ![]() |
TOS![]() | P-SULFINOTOLUENE | A | 1EST | 0.7 | ![]() |
TOS![]() | P-SULFINOTOLUENE | C,G | 2CHA | 0.7 | ![]() |
TOS![]() | P-SULFINOTOLUENE | E | 1PPH | 0.7 | ![]() |
BDL![]() | N-(biphenyl-4-ylsulfonyl)-D-leucine | A | 3EHX | 0.73 | ![]() |
M5P![]() | (S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID | A,B | 2YZ3 | 0.82 | ![]() |
BFL![]() | A,B | 1Q4G | 0.74 | ![]() |