Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03470032
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 |
SMN | (S)-MANDELIC ACID | A | 1MDL | 0.72 | |
BTP | 2-THIOMETHYL-3-PHENYLPROPANOIC ACID | A,B | 1JAO | 0.75 | |
HSI | (3R)-3-{4-[(4-CHLOROPHENYL)ETHYNYL]BENZOYL}NONANOIC ACID | A | 2Z2D | 0.79 | |
ENO | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | H,I | 1A2C | 0.72 | |
ENO | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | A,B,C | 1CA7 | 0.72 | |
ENO | 3-(4-HYDROXY-PHENYL)PYRUVIC ACID | A,B,C,D | 3GGO | 0.72 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MRA | 0.74 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MNS | 0.74 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1DTN | 0.74 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MDR | 0.74 | |
KPV | 5-PHENYL-2-KETO-VALERIC ACID | A,B | 2Q5Q | 0.85 | |
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 | |
CPM | S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE | A | 1CPS | 0.7 | |
BZS | L-BENZYLSUCCINIC ACID | A | 1CBX | 0.81 | |
BZS | L-BENZYLSUCCINIC ACID | A | 1HYT | 0.81 | |
BZS | L-BENZYLSUCCINIC ACID | A,B | 1WHT | 0.81 | |
FCL | 3-CHLORO-L-PHENYLALANINE | E,F | 1OKW | 0.75 | |
ISA | 3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID | A | 1NX3 | 0.73 | |
ISA | 3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID | A,B | 1ALW | 0.73 | |
BIP | 2-BENZYL-3-IODOPROPANOIC ACID | A,B,C,D | 1BAV | 0.77 | |
34Z | 3,4-dichlorobenzoate | X | 2QVY | 0.71 | |
34Z | 3,4-dichlorobenzoate | X | 2QW0 | 0.71 | |
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 | |
3BZ | 3-chlorobenzoate | X | 2QVZ | 0.75 | |
3BZ | 3-chlorobenzoate | X | 2QVX | 0.75 | |
M5P | (S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID | A,B | 2YZ3 | 0.74 | |
174 | 4-CHLORO-BENZOIC ACID | X | 3DLP | 0.75 | |
174 | 4-CHLORO-BENZOIC ACID | X | 1T5D | 0.75 | |
200 | 4-CHLORO-L-PHENYLALANINE | A,B | 2AKW | 0.75 | |
5PV | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.81 | |
DFA | DIPHENYLACETIC ACID | A,B,C | 1GMY | 0.74 | |
ELI | 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID | A,B | 2GH5 | 0.73 | |
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 | |
791 | 2-PHENYLMALONIC ACID | A | 1O4P | 0.76 | |
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 | |
2CL | (2,6-DICHLOROPHENYL)ACETIC ACID | A | 2IPW | 0.85 | |
2CL | (2,6-DICHLOROPHENYL)ACETIC ACID | A | 2IS7 | 0.85 | |
PPT | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.79 | |
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 | |
C1E | (2Z,4E)-3-chloro-2-hydroxy-6-oxo- 6-phenylhexa-2,4-dienoic acid | A | 2RHT | 0.73 | |
FE3 | 4-(2-aminoethyl)-3-chlorobenzoic acid | A,B | 2K1Q | 0.7 | |
HPK | (3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE | A | 2PUH | 0.72 | |
173 | BENZOYL-FORMIC ACID | A,B | 1SZE | 0.76 | |
RMN | (R)-MANDELIC ACID | A | 1MDL | 0.72 | |
RMN | (R)-MANDELIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1MCZ | 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 | 0.76 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A,B | 1C1X | 0.76 | |
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 | 0.76 | |
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 | 0.76 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1QRP | 0.76 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A | 2CTC | 0.76 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E82 | 0.76 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E81 | 0.76 | |
HPZ | (2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID | A | 2PUJ | 0.7 | |
NLA | NAPHTHALEN-1-YL-ACETIC ACID | A,B,C,D | 1LRH | 0.7 | |
NLA | NAPHTHALEN-1-YL-ACETIC ACID | B | 2P1O | 0.7 | |
BFL | A,B | 1Q4G | 0.73 | ||
CLT | 4-PHENYL-BUTANOIC ACID | A | 1THL | 0.79 | |
CLT | 4-PHENYL-BUTANOIC ACID | A,B | 2AY7 | 0.79 | |
CLT | 4-PHENYL-BUTANOIC ACID | E,I | 1TMN | 0.79 | |
HPX | (2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID | A,B,C,D | 2DSA | 0.7 | |
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 | |
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 | |
256 | PHENYL(SULFO)ACETIC ACID | A | 1O4Q | 0.7 | |
OPH | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPM | 0.74 | |
OPH | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPL | 0.74 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B | 2Q5O | 0.83 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B | 1LCO | 0.83 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B,C,D,E,F | 2ZF4 | 0.83 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B | 1BW9 | 0.83 | |
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 |