Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00122063
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 |
ISF![]() | A,B | 1PGE | 0.85 | ![]() | |
M5P![]() | (S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID | A,B | 2YZ3 | 0.78 | ![]() |
FLP![]() | FLURBIPROFEN | A,B,C,D | 3PGH | 0.72 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 1CQE | 0.72 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 1EQH | 0.72 | ![]() |
FLP![]() | FLURBIPROFEN | A,B | 2AYL | 0.72 | ![]() |
FLP![]() | FLURBIPROFEN | A | 1DVT | 0.72 | ![]() |
FLP![]() | FLURBIPROFEN | A | 1R9O | 0.72 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | A | 1THL | 0.75 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | A,B | 2AY7 | 0.75 | ![]() |
CLT![]() | 4-PHENYL-BUTANOIC ACID | E,I | 1TMN | 0.75 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B | 2Q5O | 0.72 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B | 1LCO | 0.72 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B,C,D,E,F | 2ZF4 | 0.72 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B | 1BW9 | 0.72 | ![]() |
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 | ![]() |
C21![]() | THIOPHENE-2-CARBOXYLIC ACID | A,B | 2HDQ | 0.72 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1BXG | 0.74 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1TOG | 0.74 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1V2F | 0.74 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1AHX | 0.74 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A | 1TOI | 0.74 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1AY8 | 0.74 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A | 1TOJ | 0.74 | ![]() |
CPM![]() | S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE | A | 1CPS | 0.78 | ![]() |
KPV![]() | 5-PHENYL-2-KETO-VALERIC ACID | A,B | 2Q5Q | 0.72 | ![]() |
53N![]() | 3-[5-(3-nitrophenyl)thiophen-2- yl]propanoic acid | A | 3DN5 | 0.73 | ![]() |
5PV![]() | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.75 | ![]() |
BTP![]() | 2-THIOMETHYL-3-PHENYLPROPANOIC ACID | A,B | 1JAO | 0.78 | ![]() |
BIP![]() | 2-BENZYL-3-IODOPROPANOIC ACID | A,B,C,D | 1BAV | 0.72 | ![]() |
4TB![]() | 4-(2-THIENYL)BUTYRIC ACID | A,B | 2AY8 | 0.85 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A | 1OS0 | 0.74 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJI | 0.74 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJJ | 0.74 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2VS2 | 0.74 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 1OD1 | 0.74 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | E | 1EPR | 0.74 | ![]() |
W29![]() | 4-(3-ethylthiophen-2-yl)benzene- 1,2-diol | A | 3D27 | 0.73 | ![]() |
PPT![]() | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.74 | ![]() |
791![]() | 2-PHENYLMALONIC ACID | A | 1O4P | 0.73 | ![]() |
M28![]() | 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID | A,B | 2NN1 | 0.73 | ![]() |
M28![]() | 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID | A | 2NNO | 0.73 | ![]() |
DFA![]() | DIPHENYLACETIC ACID | A,B,C | 1GMY | 0.76 | ![]() |
ISA![]() | 3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID | A | 1NX3 | 0.76 | ![]() |
ISA![]() | 3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID | A,B | 1ALW | 0.76 | ![]() |
TIH![]() | BETA(2-THIENYL)ALANINE | A | 1MMK | 0.72 | ![]() |
TIH![]() | BETA(2-THIENYL)ALANINE | B | 1EOJ | 0.72 | ![]() |
TIH![]() | BETA(2-THIENYL)ALANINE | A | 1KW0 | 0.72 | ![]() |
TIH![]() | BETA(2-THIENYL)ALANINE | A | 1BDK | 0.72 | ![]() |
NLA![]() | NAPHTHALEN-1-YL-ACETIC ACID | A,B,C,D | 1LRH | 0.73 | ![]() |
NLA![]() | NAPHTHALEN-1-YL-ACETIC ACID | B | 2P1O | 0.73 | ![]() |
EMT![]() | 2-(ETHYLMERCURI-THIO)-BENZOIC ACID | A,B | 1KDG | 0.73 | ![]() |
EMT![]() | 2-(ETHYLMERCURI-THIO)-BENZOIC ACID | A,B,C,D | 1O9L | 0.73 | ![]() |
SPA![]() | THIOPHENEACETIC ACID | B | 1AJQ | 0.82 | ![]() |
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 | ![]() |
BFL![]() | A,B | 1Q4G | 0.75 | ![]() | |
256![]() | PHENYL(SULFO)ACETIC ACID | A | 1O4Q | 0.77 | ![]() |
SM2![]() | (1R)-1-(2-THIENYLACETYLAMINO)-1- (3-CARBOXYPHENYL)METHYLBORONIC ACID | A,B | 1PI5 | 0.7 | ![]() |
SM2![]() | (1R)-1-(2-THIENYLACETYLAMINO)-1- (3-CARBOXYPHENYL)METHYLBORONIC ACID | A | 1NXY | 0.7 | ![]() |
SM2![]() | (1R)-1-(2-THIENYLACETYLAMINO)-1- (3-CARBOXYPHENYL)METHYLBORONIC ACID | A,B | 1MXO | 0.7 | ![]() |
SM2![]() | (1R)-1-(2-THIENYLACETYLAMINO)-1- (3-CARBOXYPHENYL)METHYLBORONIC ACID | A,B | 1YM1 | 0.7 | ![]() |
BZS![]() | L-BENZYLSUCCINIC ACID | A | 1CBX | 0.72 | ![]() |
BZS![]() | L-BENZYLSUCCINIC ACID | A | 1HYT | 0.72 | ![]() |
BZS![]() | L-BENZYLSUCCINIC ACID | A,B | 1WHT | 0.72 | ![]() |
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 | ![]() |