Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03039738
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 |
ALN | NAPHTHALEN-2-YL-3-ALANINE | A,B,I,J | 2FIV | 0.73 | |
ALN | NAPHTHALEN-2-YL-3-ALANINE | A,B | 1B0H | 0.73 | |
ALN | NAPHTHALEN-2-YL-3-ALANINE | B | 1FIV | 0.73 | |
ALN | NAPHTHALEN-2-YL-3-ALANINE | A,B,I,J | 3FIV | 0.73 | |
IOY | P-IODO-D-PHENYLALANINE | A | 1XBU | 0.72 | |
PG9 | D-PHENYLGLYCINE | A,B,G,H | 10GS | 0.78 | |
PG9 | D-PHENYLGLYCINE | A,B,C,D | 2B4K | 0.78 | |
FL2 | FLURBIPROFEN METHYL ESTER | A,B | 1HT5 | 0.72 | |
APD | 3-METHYLPHENYLALANINE | A,B,C | 1GMY | 0.76 | |
APM | M-AMIDINOPHENYL-3-ALANINE | E | 1PPH | 0.72 | |
MEA | N-METHYLPHENYLALANINE | A | 2PIL | 0.71 | |
MEA | N-METHYLPHENYLALANINE | A,B,C,D | 1H0I | 0.71 | |
MEA | N-METHYLPHENYLALANINE | A,B,I | 1DOJ | 0.71 | |
U16 | METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY- 3-(4-ISOPROPYLPHENYL)PROPANOYL]- D-ALANYL-D-LEUCINATE | A | 2GG9 | 0.72 | |
IBR | A | 9EST | 0.71 | ||
HMF | 2-AMINO-4-PHENYL-BUTYRIC ACID | I,J | 1AY6 | 0.73 | |
HPE | HOMOPHENYLALANINE | A,B | 1B1H | 0.73 | |
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 | 0.72 | |
CT1 | (1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)- 1-FORMYLPENTYL]CARBAMATE | A | 2AUX | 0.7 | |
4AF | 4-ACETYL-L-PHENYLALANINE | A | 1ZH6 | 0.73 | |
CXA | PHENYLALANINE-N-SULFONAMIDE | A | 1IY7 | 0.7 | |
BIF | (R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID | G,M,P,S | 1YYL | 0.74 | |
BIF | (R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID | G,M,P,S | 2I5Y | 0.74 | |
1PA | PHENYLMETHYLACETIC ACID ALANINE | I | 1BHF | 0.77 | |
PBF | PARA-(BENZOYL)-PHENYLALANINE | A | 2FR9 | 0.71 | |
PBF | PARA-(BENZOYL)-PHENYLALANINE | A,B | 1EEN | 0.71 | |
PBF | PARA-(BENZOYL)-PHENYLALANINE | A | 2HGZ | 0.71 | |
PBF | PARA-(BENZOYL)-PHENYLALANINE | A | 2FRB | 0.71 | |
IN4 | +/-METHYL 4-(AMINOIMINOMETHYL)- BETA-[3- INH (AMINOIMINO)PHENYL]BENZENE PENTANOATE | A | 1AZ8 | 0.75 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K5S | 0.7 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1KEC | 0.7 | |
GRO | R-2-PHENYL-PROPRIONIC ACID | B | 1K7D | 0.7 | |
MPQ | N-METHYL-ALPHA-PHENYL-GLYCINE | D | 1D6E | 0.74 | |
FOG | (4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid | I | 1EED | 0.7 | |
DPN | D-PHENYLALANINE | P | 1MCS | 0.73 | |
DPN | D-PHENYLALANINE | A | 1GOE | 0.73 | |
DPN | D-PHENYLALANINE | A | 2RM9 | 0.73 | |
DPN | D-PHENYLALANINE | A | 1SOC | 0.73 | |
DPN | D-PHENYLALANINE | B,C,E,F | 1SFQ | 0.73 | |
DPN | D-PHENYLALANINE | I | 1ABJ | 0.73 | |
DPN | D-PHENYLALANINE | P | 1DWE | 0.73 | |
DPN | D-PHENYLALANINE | I,M | 1HLT | 0.73 | |
DPN | D-PHENYLALANINE | A,H,L | 1J9C | 0.73 | |
DPN | D-PHENYLALANINE | I,T | 1TMB | 0.73 | |
DPN | D-PHENYLALANINE | A | 2JRY | 0.73 | |
DPN | D-PHENYLALANINE | A | 2SOC | 0.73 | |
DPN | D-PHENYLALANINE | A | 2YYF | 0.73 | |
DPN | D-PHENYLALANINE | I | 2HGT | 0.73 | |
DPN | D-PHENYLALANINE | A,D | 2Q3I | 0.73 | |
DPN | D-PHENYLALANINE | A,P | 1MCD | 0.73 | |
DPN | D-PHENYLALANINE | P | 1HAO | 0.73 | |
DPN | D-PHENYLALANINE | A,B,I | 1Z8J | 0.73 | |
DPN | D-PHENYLALANINE | A,B,C | 2PGQ | 0.73 | |
DPN | D-PHENYLALANINE | C,D,H,I,L,M, X,Y | 1DVA | 0.73 | |
DPN | D-PHENYLALANINE | P | 1NRR | 0.73 | |
DPN | D-PHENYLALANINE | I | 1PPB | 0.73 | |
DPN | D-PHENYLALANINE | C,D,G,H | 1NU7 | 0.73 | |
DPN | D-PHENYLALANINE | I | 2HPP | 0.73 | |
DPN | D-PHENYLALANINE | B,C | 2OD3 | 0.73 | |
DPN | D-PHENYLALANINE | A | 1B0Q | 0.73 | |
DPN | D-PHENYLALANINE | B,C,E,F | 1NU9 | 0.73 | |
DPN | D-PHENYLALANINE | A,B,I | 1Z8I | 0.73 | |
DPN | D-PHENYLALANINE | H,I,J | 1TMU | 0.73 | |
DPN | D-PHENYLALANINE | A,B,C,D,E,F | 2DNS | 0.73 | |
DPN | D-PHENYLALANINE | A | 1GO9 | 0.73 | |
DPN | D-PHENYLALANINE | B,C,E,F | 1A0H | 0.73 | |
DPN | D-PHENYLALANINE | P | 1MCF | 0.73 | |
DPN | D-PHENYLALANINE | A | 2RME | 0.73 | |
DPN | D-PHENYLALANINE | H,I | 1TMT | 0.73 | |
DPN | D-PHENYLALANINE | I | 1ABI | 0.73 | |
DPN | D-PHENYLALANINE | R | 1NRQ | 0.73 | |
DPN | D-PHENYLALANINE | B,C,F,G | 2A1D | 0.73 | |
DPN | D-PHENYLALANINE | A,B | 2Q33 | 0.73 | |
DPN | D-PHENYLALANINE | C,H,L | 1DAN | 0.73 | |
DPN | D-PHENYLALANINE | P | 1MCE | 0.73 | |
DPN | D-PHENYLALANINE | B,C,E,F | 2A45 | 0.73 | |
DPN | D-PHENYLALANINE | A | 2RMI | 0.73 | |
DPN | D-PHENYLALANINE | A,B,I | 1TQ7 | 0.73 | |
DPN | D-PHENYLALANINE | A | 1W7M | 0.73 | |
DPN | D-PHENYLALANINE | P | 1HAP | 0.73 | |
DPN | D-PHENYLALANINE | A,B | 1ORF | 0.73 | |
DPN | D-PHENYLALANINE | I | 1IHS | 0.73 | |
DPN | D-PHENYLALANINE | P | 1MCC | 0.73 | |
DPN | D-PHENYLALANINE | A | 2RMD | 0.73 | |
DPN | D-PHENYLALANINE | A | 2JQB | 0.73 | |
DPN | D-PHENYLALANINE | I | 2HPQ | 0.73 | |
DPN | D-PHENYLALANINE | C,E,F | 1SHH | 0.73 | |
DPN | D-PHENYLALANINE | A,I | 1CVR | 0.73 | |
DPN | D-PHENYLALANINE | L,P | 1AUT | 0.73 | |
DPN | D-PHENYLALANINE | P | 1MCI | 0.73 | |
DPN | D-PHENYLALANINE | H,I | 3F6U | 0.73 | |
DPN | D-PHENYLALANINE | A | 1BFW | 0.73 | |
DPN | D-PHENYLALANINE | H,I | 1HAI | 0.73 | |
DPN | D-PHENYLALANINE | B,C | 2THF | 0.73 | |
DPN | D-PHENYLALANINE | I | 1IHT | 0.73 | |
DPN | D-PHENYLALANINE | A,P | 1MCJ | 0.73 | |
DPN | D-PHENYLALANINE | A | 1TKH | 0.73 | |
DPN | D-PHENYLALANINE | C,H,L,T | 2FIR | 0.73 | |
DPN | D-PHENYLALANINE | A | 2FMZ | 0.73 | |
DPN | D-PHENYLALANINE | A | 1YL9 | 0.73 | |
DPN | D-PHENYLALANINE | I | 1HUT | 0.73 | |
DPN | D-PHENYLALANINE | I | 1FXY | 0.73 | |
DPN | D-PHENYLALANINE | A | 1YL8 | 0.73 | |
DPN | D-PHENYLALANINE | C,H,L | 1QFK | 0.73 | |
DPN | D-PHENYLALANINE | P | 1MCB | 0.73 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY5 | 0.75 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY8 | 0.75 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY9 | 0.75 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XXZ | 0.75 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY4 | 0.75 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY6 | 0.75 | |
U15 | METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY- 3-(4-METHYLPHENYL)PROPANOYL]-D- ALANYL-D-LEUCINATE | A | 2GG8 | 0.71 | |
IBP | IBUPROFEN | A | 3FKX | 0.72 | |
IBP | IBUPROFEN | A,B | 2BXG | 0.72 | |
IBP | IBUPROFEN | A,B | 1EQG | 0.72 | |
IBP | IBUPROFEN | A,B,C | 2WD9 | 0.72 | |
IBP | IBUPROFEN | A | 2PWS | 0.72 | |
TFQ | 4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINE | A | 3D6V | 0.73 | |
4PH | 4-methyl-L-phenylalanine | B,C | 3BV9 | 0.76 | |
MFD | (2S,3S,8S,9S)-3-AMINO-9-METHOXY- 2,6,8-TRIMETHYL-10-PHENYLDECA-4,6- DIENOIC ACID | A | 1AY3 | 0.72 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A,B,M,N | 1FJM | 0.75 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVA | 0.75 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1LCM | 0.75 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A,B,C,D,E,F, G,H | 2NYM | 0.75 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | C,I | 2IE3 | 0.75 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | C,F,X,Y | 2NPP | 0.75 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVC | 0.75 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | C,F,G,H | 3DW8 | 0.75 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A,B,C,D,E,F, G,H | 2NYL | 0.75 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVD | 0.75 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVB | 0.75 | |
OST | METHYL (2Z)-3-METHOXY-2-{2-[(E)- 2-PHENYLVINYL]PHENYL}ACRYLATE | C,D,E | 1SQQ | 0.71 | |
2UN | {4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)- 3-OXOPROPYL]PHENYL}SULFAMIC ACID | A,B | 2H02 | 0.71 | |
I21 | 2-[(5R)-5-amino-5-methyl-4,16-dioxo- 14-phenyl-3-oxa-15-azatricyclo[15.3.1.1~7,11~]docosa- 1(21),7(22),8,10,12,14,17,19-octaen- 19-yl]benzonitrile | A | 2QZK | 0.7 | |
NAL | BETA-(2-NAPHTHYL)-ALANINE | A,B | 2ITK | 0.73 | |
NAL | BETA-(2-NAPHTHYL)-ALANINE | H,I | 4THN | 0.73 | |
NAL | BETA-(2-NAPHTHYL)-ALANINE | A,B | 2Q5A | 0.73 | |
NAL | BETA-(2-NAPHTHYL)-ALANINE | A | 1ZWU | 0.73 | |
NAL | BETA-(2-NAPHTHYL)-ALANINE | A | 1SKL | 0.73 | |
NAL | BETA-(2-NAPHTHYL)-ALANINE | H,I | 5GDS | 0.73 | |
NAL | BETA-(2-NAPHTHYL)-ALANINE | A | 1ZH0 | 0.73 | |
NAL | BETA-(2-NAPHTHYL)-ALANINE | A,B | 2JT9 | 0.73 | |
PM3 | 2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID | A,L,M | 3FEA | 0.7 | |
PM3 | 2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID | P | 1CWD | 0.7 | |
PM3 | 2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID | L | 3FE7 | 0.7 | |
PM3 | 2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID | B | 2GV2 | 0.7 | |
PM3 | 2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID | B,D | 1CWE | 0.7 | |
PFF | 4-FLUORO-L-PHENYLALANINE | A | 3F3C | 0.72 | |
PFF | 4-FLUORO-L-PHENYLALANINE | A,C,E,F | 2UUE | 0.72 | |
PFF | 4-FLUORO-L-PHENYLALANINE | A | 1ZNT | 0.72 | |
PFF | 4-FLUORO-L-PHENYLALANINE | F,H | 1OL1 | 0.72 | |
PFF | 4-FLUORO-L-PHENYLALANINE | A,C,F,H | 2C5V | 0.72 | |
PFF | 4-FLUORO-L-PHENYLALANINE | E,F | 1OL2 | 0.72 | |
LLG | 2-aminoethyl naphthalen-1-ylacetate | A | 3BC4 | 0.78 | |
MCG | (S)-(ALPHA)-METHYL-4-CARBOXYPHENYLGLYCINE | A,B | 1ISS | 0.79 | |
APH | P-AMIDINOPHENYL-3-ALANINE | E,I | 1PPC | 0.72 | |
APH | P-AMIDINOPHENYL-3-ALANINE | H | 1ETS | 0.72 | |
APH | P-AMIDINOPHENYL-3-ALANINE | H | 1ETT | 0.72 | |
APH | P-AMIDINOPHENYL-3-ALANINE | I | 1QUR | 0.72 | |
AHC | 4-AMINOHYDROCINNAMIC ACID | A,B | 2AY1 | 0.71 | |
PSA | 3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID | I | 1EPL | 0.7 | |
PSA | 3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID | A,B,C,D | 2IFW | 0.7 | |
PSA | 3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID | E,I | 1EPM | 0.7 | |
ZYZ | (4-{(2S)-2-[(tert-butoxycarbonyl)amino]- 3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid | A | 3D9C | 0.73 | |
0A9 | methyl L-phenylalaninate | A | 1AY2 | 0.79 | |
0A9 | methyl L-phenylalaninate | I | 5ER1 | 0.79 | |
0A9 | methyl L-phenylalaninate | I,P | 1HDT | 0.79 | |
E04 | 3-CARBOXAMIDO-1,3,5(10)-ESTRATRIEN- 17(R)-SPIRO-2'(5',5'-DIMETHYL-6'OXO)TETRAHYDROPYRAN | A | 1ZQ5 | 0.73 | |
PHI | IODO-PHENYLALANINE | A | 1TF9 | 0.72 | |
PHI | IODO-PHENYLALANINE | A,B,C,D | 1ORW | 0.72 | |
PHI | IODO-PHENYLALANINE | A | 1T6H | 0.72 | |
PHI | IODO-PHENYLALANINE | A,B,C | 1NLU | 0.72 | |
PHI | IODO-PHENYLALANINE | A,I | 1GA1 | 0.72 | |
PHI | IODO-PHENYLALANINE | A,I | 1GA4 | 0.72 | |
PHI | IODO-PHENYLALANINE | P | 1CZI | 0.72 | |
ZAE | N-methyl-D-phenylalanine | H,I,R | 1TBZ | 0.71 | |
IGL | ALPHA-AMINO-2-INDANACETIC ACID | A | 1BDK | 0.73 | |
NHL | (4S)-4-(2-NAPHTHYLMETHYL)-D-GLUTAMIC ACID | A | 2OHV | 0.7 |