Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03422164
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 |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MRA | 0.73 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MNS | 0.73 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1DTN | 0.73 | |
APG | ATROLACTIC ACID (2-PHENYL-LACTIC ACID) | A | 1MDR | 0.73 | |
B08 | A,B | 2E99 | 0.72 | ||
PAC | 2-PHENYLACETIC ACID | B | 1PNL | 0.8 | |
PAC | 2-PHENYLACETIC ACID | B | 1K5Q | 0.8 | |
PAC | 2-PHENYLACETIC ACID | B | 1FXH | 0.8 | |
PAC | 2-PHENYLACETIC ACID | A | 2ISF | 0.8 | |
PAC | 2-PHENYLACETIC ACID | A | 2INE | 0.8 | |
UIN | 5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY- 3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN- 2-ONE | B | 5UPJ | 0.73 | |
FLP | FLURBIPROFEN | A,B,C,D | 3PGH | 0.77 | |
FLP | FLURBIPROFEN | A,B | 1CQE | 0.77 | |
FLP | FLURBIPROFEN | A,B | 1EQH | 0.77 | |
FLP | FLURBIPROFEN | A,B | 2AYL | 0.77 | |
FLP | FLURBIPROFEN | A | 1DVT | 0.77 | |
FLP | FLURBIPROFEN | A | 1R9O | 0.77 | |
M28 | 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID | A,B | 2NN1 | 0.72 | |
M28 | 3-[4-(AMINOSULFONYL)PHENYL]PROPANOIC ACID | A | 2NNO | 0.72 | |
BZS | L-BENZYLSUCCINIC ACID | A | 1CBX | 0.83 | |
BZS | L-BENZYLSUCCINIC ACID | A | 1HYT | 0.83 | |
BZS | L-BENZYLSUCCINIC ACID | A,B | 1WHT | 0.83 | |
MFD | (2S,3S,8S,9S)-3-AMINO-9-METHOXY- 2,6,8-TRIMETHYL-10-PHENYLDECA-4,6- DIENOIC ACID | A | 1AY3 | 0.71 | |
BFL | A,B | 1Q4G | 0.79 | ||
4PH | 4-methyl-L-phenylalanine | B,C | 3BV9 | 0.72 | |
DPN | D-PHENYLALANINE | P | 1MCS | 0.7 | |
DPN | D-PHENYLALANINE | A | 1GOE | 0.7 | |
DPN | D-PHENYLALANINE | A | 2RM9 | 0.7 | |
DPN | D-PHENYLALANINE | A | 1SOC | 0.7 | |
DPN | D-PHENYLALANINE | B,C,E,F | 1SFQ | 0.7 | |
DPN | D-PHENYLALANINE | I | 1ABJ | 0.7 | |
DPN | D-PHENYLALANINE | P | 1DWE | 0.7 | |
DPN | D-PHENYLALANINE | I,M | 1HLT | 0.7 | |
DPN | D-PHENYLALANINE | A,H,L | 1J9C | 0.7 | |
DPN | D-PHENYLALANINE | I,T | 1TMB | 0.7 | |
DPN | D-PHENYLALANINE | A | 2JRY | 0.7 | |
DPN | D-PHENYLALANINE | A | 2SOC | 0.7 | |
DPN | D-PHENYLALANINE | A | 2YYF | 0.7 | |
DPN | D-PHENYLALANINE | I | 2HGT | 0.7 | |
DPN | D-PHENYLALANINE | A,D | 2Q3I | 0.7 | |
DPN | D-PHENYLALANINE | A,P | 1MCD | 0.7 | |
DPN | D-PHENYLALANINE | P | 1HAO | 0.7 | |
DPN | D-PHENYLALANINE | A,B,I | 1Z8J | 0.7 | |
DPN | D-PHENYLALANINE | A,B,C | 2PGQ | 0.7 | |
DPN | D-PHENYLALANINE | C,D,H,I,L,M, X,Y | 1DVA | 0.7 | |
DPN | D-PHENYLALANINE | P | 1NRR | 0.7 | |
DPN | D-PHENYLALANINE | I | 1PPB | 0.7 | |
DPN | D-PHENYLALANINE | C,D,G,H | 1NU7 | 0.7 | |
DPN | D-PHENYLALANINE | I | 2HPP | 0.7 | |
DPN | D-PHENYLALANINE | B,C | 2OD3 | 0.7 | |
DPN | D-PHENYLALANINE | A | 1B0Q | 0.7 | |
DPN | D-PHENYLALANINE | B,C,E,F | 1NU9 | 0.7 | |
DPN | D-PHENYLALANINE | A,B,I | 1Z8I | 0.7 | |
DPN | D-PHENYLALANINE | H,I,J | 1TMU | 0.7 | |
DPN | D-PHENYLALANINE | A,B,C,D,E,F | 2DNS | 0.7 | |
DPN | D-PHENYLALANINE | A | 1GO9 | 0.7 | |
DPN | D-PHENYLALANINE | B,C,E,F | 1A0H | 0.7 | |
DPN | D-PHENYLALANINE | P | 1MCF | 0.7 | |
DPN | D-PHENYLALANINE | A | 2RME | 0.7 | |
DPN | D-PHENYLALANINE | H,I | 1TMT | 0.7 | |
DPN | D-PHENYLALANINE | I | 1ABI | 0.7 | |
DPN | D-PHENYLALANINE | R | 1NRQ | 0.7 | |
DPN | D-PHENYLALANINE | B,C,F,G | 2A1D | 0.7 | |
DPN | D-PHENYLALANINE | A,B | 2Q33 | 0.7 | |
DPN | D-PHENYLALANINE | C,H,L | 1DAN | 0.7 | |
DPN | D-PHENYLALANINE | P | 1MCE | 0.7 | |
DPN | D-PHENYLALANINE | B,C,E,F | 2A45 | 0.7 | |
DPN | D-PHENYLALANINE | A | 2RMI | 0.7 | |
DPN | D-PHENYLALANINE | A,B,I | 1TQ7 | 0.7 | |
DPN | D-PHENYLALANINE | A | 1W7M | 0.7 | |
DPN | D-PHENYLALANINE | P | 1HAP | 0.7 | |
DPN | D-PHENYLALANINE | A,B | 1ORF | 0.7 | |
DPN | D-PHENYLALANINE | I | 1IHS | 0.7 | |
DPN | D-PHENYLALANINE | P | 1MCC | 0.7 | |
DPN | D-PHENYLALANINE | A | 2RMD | 0.7 | |
DPN | D-PHENYLALANINE | A | 2JQB | 0.7 | |
DPN | D-PHENYLALANINE | I | 2HPQ | 0.7 | |
DPN | D-PHENYLALANINE | C,E,F | 1SHH | 0.7 | |
DPN | D-PHENYLALANINE | A,I | 1CVR | 0.7 | |
DPN | D-PHENYLALANINE | L,P | 1AUT | 0.7 | |
DPN | D-PHENYLALANINE | P | 1MCI | 0.7 | |
DPN | D-PHENYLALANINE | H,I | 3F6U | 0.7 | |
DPN | D-PHENYLALANINE | A | 1BFW | 0.7 | |
DPN | D-PHENYLALANINE | H,I | 1HAI | 0.7 | |
DPN | D-PHENYLALANINE | B,C | 2THF | 0.7 | |
DPN | D-PHENYLALANINE | I | 1IHT | 0.7 | |
DPN | D-PHENYLALANINE | A,P | 1MCJ | 0.7 | |
DPN | D-PHENYLALANINE | A | 1TKH | 0.7 | |
DPN | D-PHENYLALANINE | C,H,L,T | 2FIR | 0.7 | |
DPN | D-PHENYLALANINE | A | 2FMZ | 0.7 | |
DPN | D-PHENYLALANINE | A | 1YL9 | 0.7 | |
DPN | D-PHENYLALANINE | I | 1HUT | 0.7 | |
DPN | D-PHENYLALANINE | I | 1FXY | 0.7 | |
DPN | D-PHENYLALANINE | A | 1YL8 | 0.7 | |
DPN | D-PHENYLALANINE | C,H,L | 1QFK | 0.7 | |
DPN | D-PHENYLALANINE | P | 1MCB | 0.7 | |
295 | (2S,3S)-3-(4-fluorophenyl)-2,3- dihydroxypropanoic acid | A,B | 2RJR | 0.71 | |
CPM | S-(2-CARBOXY-3-PHENYLPROPYL)THIODIIMINE- S-METHANE | A | 1CPS | 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 | 0.78 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A,B | 1C1X | 0.78 | |
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 | 0.78 | |
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 | 0.78 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1QRP | 0.78 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | A | 2CTC | 0.78 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E82 | 0.78 | |
HFA | ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID | I | 1E81 | 0.78 | |
FL2 | FLURBIPROFEN METHYL ESTER | A,B | 1HT5 | 0.74 | |
M29 | ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE | A | 2NNV | 0.71 | |
M29 | ETHYL 3-[4-(AMINOSULFONYL)PHENYL]PROPANOATE | A,B | 2NN7 | 0.71 | |
DFA | DIPHENYLACETIC ACID | A,B,C | 1GMY | 0.79 | |
4MA | 4-METHYLBENZOIC ACID | A,H | 2HRG | 0.71 | |
BNA | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | I | 4ER1 | 0.73 | |
BNA | BIS-(NAPHTHYL-1-METHYL) ACETIC ACID | A | 1FQ5 | 0.73 | |
BEY | (2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]- 2-benzylpropanoic acid | A | 3EBI | 0.81 | |
SMN | (S)-MANDELIC ACID | A | 1MDL | 0.73 | |
5PV | 5-PHENYLVALERIC ACID | A,B | 2AY9 | 0.84 | |
OAC | TRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE | C | 3GCH | 0.7 | |
23N | (2R)-2-benzyl-3-nitropropanoic acid | A | 2RFH | 0.73 | |
4CB | 4-CARBOXYPHENYLBORONIC ACID | A,B | 1KDW | 0.71 | |
HMF | 2-AMINO-4-PHENYL-BUTYRIC ACID | I,J | 1AY6 | 0.7 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0D | 0.71 | |
PEL | 2-PHENYL-ETHANOL | D,H | 2I0T | 0.71 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1HZY | 0.71 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1I0B | 0.71 | |
PEL | 2-PHENYL-ETHANOL | A | 1EYW | 0.71 | |
PEL | 2-PHENYL-ETHANOL | A,B | 1JGM | 0.71 | |
PPT | 3-(P-TOLYL)PROPIONIC ACID | A,B | 2AY4 | 0.84 | |
2HS | HEXYLPHOSPHONIC ACID (S)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS2 | 0.84 | |
CIN | 4-CARBOXYCINNAMIC ACID | A,B,C,D | 1HAB | 0.71 | |
CIN | 4-CARBOXYCINNAMIC ACID | A,B | 1T6J | 0.71 | |
HPE | HOMOPHENYLALANINE | A,B | 1B1H | 0.7 | |
2HR | HEXYLPHOSPHONIC ACID (R)-2-METHYL- 3-PHENYLPROPYL ESTER | X | 1YS1 | 0.84 | |
173 | BENZOYL-FORMIC ACID | A,B | 1SZE | 0.72 | |
791 | 2-PHENYLMALONIC ACID | A | 1O4P | 0.79 | |
BIP | 2-BENZYL-3-IODOPROPANOIC ACID | A,B,C,D | 1BAV | 0.83 | |
1ZN | (2S,3S,4E,6E,8S,9S)-3-amino-9-methoxy- 2,6,8-trimethyl-10-phenyldeca-4,6- dienoic acid | C,F,M,N | 2IAE | 0.71 | |
256 | PHENYL(SULFO)ACETIC ACID | A | 1O4Q | 0.73 | |
BTP | 2-THIOMETHYL-3-PHENYLPROPANOIC ACID | A,B | 1JAO | 0.8 | |
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 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A | 1OS0 | 0.87 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJI | 0.87 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2JJJ | 0.87 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 2VS2 | 0.87 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | A,B | 1OD1 | 0.87 | |
DPH | DEAMINO-METHYL-PHENYLALANINE | E | 1EPR | 0.87 | |
M5P | (S)-2-(MERCAPTOMETHYL)-5-PHENYLPENTANOIC ACID | A,B | 2YZ3 | 0.81 | |
OST | METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE | C,D,E | 1SQQ | 0.71 | |
3PL | 3-PHENYLPROPANAL | E | 1Y3G | 0.7 | |
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 | |
CP5 | (2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}- 2-PHENYLACRYLATE | A | 1SCW | 0.82 | |
1LP | TRANYLCYPROMINE | A,B | 1OJB | 0.72 | |
ELI | 6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID | A,B | 2GH5 | 0.74 | |
PM3 | 2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID | A,L,M | 3FEA | 0.78 | |
PM3 | 2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID | P | 1CWD | 0.78 | |
PM3 | 2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID | L | 3FE7 | 0.78 | |
PM3 | 2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID | B | 2GV2 | 0.78 | |
PM3 | 2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID | B,D | 1CWE | 0.78 | |
HCI | HYDROCINNAMIC ACID | A,B | 1BXG | 0.83 | |
HCI | HYDROCINNAMIC ACID | A,B | 1TOG | 0.83 | |
HCI | HYDROCINNAMIC ACID | A,B | 1V2F | 0.83 | |
HCI | HYDROCINNAMIC ACID | A,B | 1AHX | 0.83 | |
HCI | HYDROCINNAMIC ACID | A | 1TOI | 0.83 | |
HCI | HYDROCINNAMIC ACID | A,B | 1AY8 | 0.83 | |
HCI | HYDROCINNAMIC ACID | A | 1TOJ | 0.83 | |
RMN | (R)-MANDELIC ACID | A | 1MDL | 0.73 | |
RMN | (R)-MANDELIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 1MCZ | 0.73 | |
APD | 3-METHYLPHENYLALANINE | A,B,C | 1GMY | 0.72 | |
OPH | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPM | 0.77 | |
OPH | 2-HYDROXY-3-PHENYL-PROPIONIC ACID METHYL ESTER | E,I | 1PPL | 0.77 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B | 2Q5O | 0.79 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B | 1LCO | 0.79 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B,C,D,E,F | 2ZF4 | 0.79 | |
PPY | 3-PHENYLPYRUVIC ACID | A,B | 1BW9 | 0.79 | |
IBP | IBUPROFEN | A | 3FKX | 0.83 | |
IBP | IBUPROFEN | A,B | 2BXG | 0.83 | |
IBP | IBUPROFEN | A,B | 1EQG | 0.83 | |
IBP | IBUPROFEN | A,B,C | 2WD9 | 0.83 | |
IBP | IBUPROFEN | A | 2PWS | 0.83 | |
PTM | ALPHA-METHYL-O-PHOSPHOTYROSINE | H,L | 1JYQ | 0.71 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K5S | 0.83 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1KEC | 0.83 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K7D | 0.83 | |
AN1 | 3-(10-METHYL-ANTHRACEN-9-YL)-PROPIONIC ACID | H,Y | 1LO3 | 0.73 | |
FTY | DEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINE | C,D | 1A08 | 0.75 | |
FTY | DEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINE | C,D,E,F | 1QZ0 | 0.75 | |
FTY | DEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINE | C,D,E,F | 1XXV | 0.75 | |
B28 | A,B | 2E9A | 0.71 | ||
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1DPM | 0.76 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1P6B | 0.76 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1PSC | 0.76 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 3E3H | 0.76 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1QW7 | 0.76 | |
EBP | DIETHYL 4-METHYLBENZYLPHOSPHONATE | A,B | 1P6C | 0.76 | |
KPV | 5-PHENYL-2-KETO-VALERIC ACID | A,B | 2Q5Q | 0.81 | |
24I | (2S)-2-{[HYDROXY(4-IODOBENZYL)PHOSPHORYL]METHYL}PENTANEDIOIC ACID | A | 2C6C | 0.82 | |
NIU | 6,7,8,9-TETRAHYDRO-4-HYDROXY-3- (1-PHENYLPROPYL)CYCLOHEPTA[B]PYRAN- 2-ONE | A | 6UPJ | 0.73 | |
2CL | (2,6-DICHLOROPHENYL)ACETIC ACID | A | 2IPW | 0.7 | |
2CL | (2,6-DICHLOROPHENYL)ACETIC ACID | A | 2IS7 | 0.7 | |
I59 | HYDROXY(1-NAPHTHYL)METHYLPHOSPHONIC ACID | A | 1O4G | 0.7 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A,B,M,N | 1FJM | 0.72 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVA | 0.72 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1LCM | 0.72 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A,B,C,D,E,F, G,H | 2NYM | 0.72 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | C,I | 2IE3 | 0.72 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | C,F,X,Y | 2NPP | 0.72 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVC | 0.72 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | C,F,G,H | 3DW8 | 0.72 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A,B,C,D,E,F, G,H | 2NYL | 0.72 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVD | 0.72 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVB | 0.72 |