Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01892414
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 |
23N![]() | (2R)-2-benzyl-3-nitropropanoic acid | A | 2RFH | 0.72 | ![]() |
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 | 0.73 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A,B | 1C1X | 0.73 | ![]() |
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 | 0.73 | ![]() |
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 | 0.73 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1QRP | 0.73 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A | 2CTC | 0.73 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E82 | 0.73 | ![]() |
HFA![]() | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E81 | 0.73 | ![]() |
M5P![]() | (S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID | A,B | 2YZ3 | 0.78 | ![]() |
BFL![]() | A,B | 1Q4G | 0.76 | ![]() | |
791![]() | 2-PHENYLMALONIC ACID | A | 1O4P | 0.78 | ![]() |
FCL![]() | 3-CHLORO-L-PHENYLALANINE | E,F | 1OKW | 0.77 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B | 2Q5O | 0.77 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B | 1LCO | 0.77 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B,C,D,E,F | 2ZF4 | 0.77 | ![]() |
PPY![]() | 3-PHENYLPYRUVIC ACID | A,B | 1BW9 | 0.77 | ![]() |
174![]() | 4-CHLORO-BENZOIC ACID | X | 3DLP | 0.78 | ![]() |
174![]() | 4-CHLORO-BENZOIC ACID | X | 1T5D | 0.78 | ![]() |
FE3![]() | 4-(2-aminoethyl)-3-chlorobenzoic acid | A,B | 2K1Q | 0.71 | ![]() |
HSI![]() | (3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID | A | 2Z2D | 0.82 | ![]() |
APG![]() | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MRA | 0.7 | ![]() |
APG![]() | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MNS | 0.7 | ![]() |
APG![]() | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1DTN | 0.7 | ![]() |
APG![]() | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MDR | 0.7 | ![]() |
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 | ![]() |
BTP![]() | 2-THIOMETHYL-3-PHENYLPROPANOIC ACID | A,B | 1JAO | 0.78 | ![]() |
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 | ![]() |
ELI![]() | 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID | A,B | 2GH5 | 0.71 | ![]() |
256![]() | PHENYL(SULFO)ACETIC ACID | A | 1O4Q | 0.71 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | B | 1PNL | 0.79 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | B | 1K5Q | 0.79 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | B | 1FXH | 0.79 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | A | 2ISF | 0.79 | ![]() |
PAC![]() | 2-PHENYLACETIC ACID | A | 2INE | 0.79 | ![]() |
3C4![]() | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D | 3E5U | 0.73 | ![]() |
3C4![]() | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B | 3E6B | 0.73 | ![]() |
3C4![]() | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B,C,D | 3E5X | 0.73 | ![]() |
3C4![]() | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | A,B | 2H6B | 0.73 | ![]() |
3C4![]() | (3-CHLORO-4-HYDROXYPHENYL)ACETIC ACID | C | 3E6C | 0.73 | ![]() |
CPM![]() | S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE | A | 1CPS | 0.73 | ![]() |
ISA![]() | 3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID | A | 1NX3 | 0.74 | ![]() |
ISA![]() | 3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID | A,B | 1ALW | 0.74 | ![]() |
CIN![]() | 4-CARBOXYCINNAMIC ACID | A,B,C,D | 1HAB | 0.71 | ![]() |
CIN![]() | 4-CARBOXYCINNAMIC ACID | A,B | 1T6J | 0.71 | ![]() |
AN1![]() | 3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID | H,Y | 1LO3 | 0.7 | ![]() |
BNA![]() | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | I | 4ER1 | 0.71 | ![]() |
BNA![]() | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | A | 1FQ5 | 0.71 | ![]() |
200![]() | 4-CHLORO-L-PHENYLALANINE | A,B | 2AKW | 0.79 | ![]() |
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 | ![]() |
NLA![]() | NAPHTHALEN-1-YL-ACETIC ACID | A,B,C,D | 1LRH | 0.73 | ![]() |
NLA![]() | NAPHTHALEN-1-YL-ACETIC ACID | B | 2P1O | 0.73 | ![]() |
OPH![]() | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPM | 0.7 | ![]() |
OPH![]() | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPL | 0.7 | ![]() |
PPT![]() | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.81 | ![]() |
BZS![]() | L-BENZYLSUCCINIC ACID | A | 1CBX | 0.89 | ![]() |
BZS![]() | L-BENZYLSUCCINIC ACID | A | 1HYT | 0.89 | ![]() |
BZS![]() | L-BENZYLSUCCINIC ACID | A,B | 1WHT | 0.89 | ![]() |
2CL![]() | (2,6-DICHLOROPHENYL)ACETIC ACID | A | 2IPW | 0.85 | ![]() |
2CL![]() | (2,6-DICHLOROPHENYL)ACETIC ACID | A | 2IS7 | 0.85 | ![]() |
34Z![]() | 3,4-dichlorobenzoate | X | 2QVY | 0.74 | ![]() |
34Z![]() | 3,4-dichlorobenzoate | X | 2QW0 | 0.74 | ![]() |
3BZ![]() | 3-chlorobenzoate | X | 2QVZ | 0.76 | ![]() |
3BZ![]() | 3-chlorobenzoate | X | 2QVX | 0.76 | ![]() |
M28![]() | 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID | A,B | 2NN1 | 0.71 | ![]() |
M28![]() | 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID | A | 2NNO | 0.71 | ![]() |
173![]() | BENZOYL-FORMIC ACID | A,B | 1SZE | 0.71 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1BXG | 0.81 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1TOG | 0.81 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1V2F | 0.81 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1AHX | 0.81 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A | 1TOI | 0.81 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A,B | 1AY8 | 0.81 | ![]() |
HCI![]() | HYDROCINNAMIC ACID | A | 1TOJ | 0.81 | ![]() |
KPV![]() | 5-PHENYL-2-KETO-VALERIC ACID | A,B | 2Q5Q | 0.79 | ![]() |
OSB![]() | 2-SUCCINYLBENZOATE | A | 1FHV | 0.73 | ![]() |
OSB![]() | 2-SUCCINYLBENZOATE | A,B,C,D | 1SJB | 0.73 | ![]() |
OSB![]() | 2-SUCCINYLBENZOATE | A,B | 2QVH | 0.73 | ![]() |
PHT![]() | PHTHALIC ACID | A,B,C | 2B7P | 0.73 | ![]() |
PHT![]() | PHTHALIC ACID | A | 3C2V | 0.73 | ![]() |
PHT![]() | PHTHALIC ACID | A,B,C,D,E,F | 1QPR | 0.73 | ![]() |
PHT![]() | PHTHALIC ACID | A,B | 3C2R | 0.73 | ![]() |
5PV![]() | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.82 | ![]() |
DFA![]() | DIPHENYLACETIC ACID | A,B,C | 1GMY | 0.78 | ![]() |
HMF![]() | 2-AMINO-4-PHENYL-BUTYRIC ACID | I,J | 1AY6 | 0.71 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A | 1OS0 | 0.83 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJI | 0.83 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJJ | 0.83 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 2VS2 | 0.83 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | A,B | 1OD1 | 0.83 | ![]() |
DPH![]() | DEAMINO-METHYL-PHENYLALANINE | E | 1EPR | 0.83 | ![]() |
BIP![]() | 2-BENZYL-3-IODOPROPANOIC ACID | A,B,C,D | 1BAV | 0.81 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1K5S | 0.79 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1KEC | 0.79 | ![]() |
GRO![]() | R-2-PHENYL-PROPRIONIC ACID | B | 1K7D | 0.79 | ![]() |
HPE![]() | HOMOPHENYLALANINE | A,B | 1B1H | 0.71 | ![]() |