Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03031656
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 | 0.72 | |
BTP | 2-THIOMETHYL-3-PHENYLPROPANOIC ACID | A,B | 1JAO | 0.73 | |
200 | 4-CHLORO-L-PHENYLALANINE | A,B | 2AKW | 0.72 | |
BFL | A,B | 1Q4G | 0.76 | ||
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K5S | 0.75 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1KEC | 0.75 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K7D | 0.75 | |
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 | |
5PV | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.77 | |
FCL | 3-CHLORO-L-PHENYLALANINE | E,F | 1OKW | 0.72 | |
BIP | 2-BENZYL-3-IODOPROPANOIC ACID | A,B,C,D | 1BAV | 0.75 | |
HSI | (3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID | A | 2Z2D | 0.81 | |
TRZ | TRAZEOLIDE | A | 1C12 | 0.71 | |
PPT | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.77 | |
KPV | 5-PHENYL-2-KETO-VALERIC ACID | A,B | 2Q5Q | 0.77 | |
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 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B | 2Q5O | 0.75 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B | 1LCO | 0.75 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B,C,D,E,F | 2ZF4 | 0.75 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B | 1BW9 | 0.75 | |
2CL | (2,6-DICHLOROPHENYL)ACETIC ACID | A | 2IPW | 0.81 | |
2CL | (2,6-DICHLOROPHENYL)ACETIC ACID | A | 2IS7 | 0.81 | |
M5P | (S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID | A,B | 2YZ3 | 0.74 | |
UIN | 5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE | B | 5UPJ | 0.72 | |
DFA | DIPHENYLACETIC ACID | A,B,C | 1GMY | 0.76 | |
ELI | 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID | A,B | 2GH5 | 0.73 | |
BNA | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | I | 4ER1 | 0.71 | |
BNA | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | A | 1FQ5 | 0.71 | |
PAC | 2-PHENYLACETIC ACID | B | 1PNL | 0.73 | |
PAC | 2-PHENYLACETIC ACID | B | 1K5Q | 0.73 | |
PAC | 2-PHENYLACETIC ACID | B | 1FXH | 0.73 | |
PAC | 2-PHENYLACETIC ACID | A | 2ISF | 0.73 | |
PAC | 2-PHENYLACETIC ACID | A | 2INE | 0.73 | |
NIU | 6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE | A | 6UPJ | 0.72 | |
3BZ | 3-chlorobenzoate | X | 2QVZ | 0.71 | |
3BZ | 3-chlorobenzoate | X | 2QVX | 0.71 | |
791 | 2-PHENYLMALONIC ACID | A | 1O4P | 0.71 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A | 1OS0 | 0.79 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJI | 0.79 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJJ | 0.79 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2VS2 | 0.79 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 1OD1 | 0.79 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | E | 1EPR | 0.79 | |
BZS | L-BENZYLSUCCINIC ACID | A | 1CBX | 0.74 | |
BZS | L-BENZYLSUCCINIC ACID | A | 1HYT | 0.74 | |
BZS | L-BENZYLSUCCINIC ACID | A,B | 1WHT | 0.74 | |
FL2 | FLURBIPROFEN METHYL ESTER | A,B | 1HT5 | 0.71 | |
174 | 4-CHLORO-BENZOIC ACID | X | 3DLP | 0.71 | |
174 | 4-CHLORO-BENZOIC ACID | X | 1T5D | 0.71 | |
AN1 | 3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID | H,Y | 1LO3 | 0.72 | |
NLA | NAPHTHALEN-1-YL-ACETIC ACID | A,B,C,D | 1LRH | 0.7 | |
NLA | NAPHTHALEN-1-YL-ACETIC ACID | B | 2P1O | 0.7 | |
HCI | HYDROCINNAMIC ACID | A,B | 1BXG | 0.76 | |
HCI | HYDROCINNAMIC ACID | A,B | 1TOG | 0.76 | |
HCI | HYDROCINNAMIC ACID | A,B | 1V2F | 0.76 | |
HCI | HYDROCINNAMIC ACID | A,B | 1AHX | 0.76 | |
HCI | HYDROCINNAMIC ACID | A | 1TOI | 0.76 | |
HCI | HYDROCINNAMIC ACID | A,B | 1AY8 | 0.76 | |
HCI | HYDROCINNAMIC ACID | A | 1TOJ | 0.76 | |
IBP | IBUPROFEN | A | 3FKX | 0.76 | |
IBP | IBUPROFEN | A,B | 2BXG | 0.76 | |
IBP | IBUPROFEN | A,B | 1EQG | 0.76 | |
IBP | IBUPROFEN | A,B,C | 2WD9 | 0.76 | |
IBP | IBUPROFEN | A | 2PWS | 0.76 |