Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00052583
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 |
HPE | HOMOPHENYLALANINE | A,B | 1B1H | 0.74 | |
HMF | 2-AMINO-4-PHENYL-BUTYRIC ACID | I,J | 1AY6 | 0.74 | |
BIF | (R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID | G,M,P,S | 1YYL | 0.72 | |
BIF | (R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID | G,M,P,S | 2I5Y | 0.72 | |
LHY | L-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINE | A,B,D,E | 1HEE | 0.8 | |
NPG | N-SUCCINYL PHENYLGLYCINE | A,B,C,D | 1SJD | 0.76 | |
PSI | 2-(2-{5-[2-(2-AMINO-PROPIONYLAMINO)- PROPIONYLAMINO]-4-HYDROXY-6-PHENYL- HEXANOYLAMINO}-3-METHYL-BUTYRYLAMINO)- 3-METHYL-BUTYRIC ACID METHYL ESTER | B | 1SIV | 0.74 | |
PSI | 2-(2-{5-[2-(2-AMINO-PROPIONYLAMINO)- PROPIONYLAMINO]-4-HYDROXY-6-PHENYL- HEXANOYLAMINO}-3-METHYL-BUTYRYLAMINO)- 3-METHYL-BUTYRIC ACID METHYL ESTER | B | 1AAQ | 0.74 | |
0A9 | methyl L-phenylalaninate | A | 1AY2 | 0.73 | |
0A9 | methyl L-phenylalaninate | I | 5ER1 | 0.73 | |
0A9 | methyl L-phenylalaninate | I,P | 1HDT | 0.73 | |
OIR | N-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINE | A | 1R1J | 0.72 | |
PM3 | 2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID | A,L,M | 3FEA | 0.71 | |
PM3 | 2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID | P | 1CWD | 0.71 | |
PM3 | 2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID | L | 3FE7 | 0.71 | |
PM3 | 2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID | B | 2GV2 | 0.71 | |
PM3 | 2-AMINO-3-(4-PHOSPHONOMETHYL-PHENYL)- PROPIONIC ACID | B,D | 1CWE | 0.71 | |
1PA | PHENYLMETHYLACETIC ACID ALANINE | I | 1BHF | 0.73 | |
ALD | CARBOBENZYLOXYLEUCINYL-LEUCINYL- LEUCINAL | A | 1BP4 | 0.7 | |
K7I | L-alanyl-N-[(1S,2R)-1-benzyl-2- hydroxypropyl]-L-alaninamide | A,B | 2QXG | 0.72 | |
4AF | 4-ACETYL-L-PHENYLALANINE | A | 1ZH6 | 0.72 | |
TI1 | [2(R,S)-2-SULFANYLHEPTANOYL]-PHE- ALA | A | 1R1I | 0.73 | |
TI1 | [2(R,S)-2-SULFANYLHEPTANOYL]-PHE- ALA | A | 1QF1 | 0.73 | |
CXA | PHENYLALANINE-N-SULFONAMIDE | A | 1IY7 | 0.74 | |
CT1 | (1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)- 1-FORMYLPENTYL]CARBAMATE | A | 2AUX | 0.74 | |
ZFB | (3R)-3-{[(BENZYLOXY)CARBONYL]AMINO}- 2-OXO-4-PHENYLBUTANE-1-DIAZONIUM | A,B,C,D | 1PVJ | 0.7 | |
4PH | 4-methyl-L-phenylalanine | B,C | 3BV9 | 0.75 | |
NDF | N-(CARBOXYCARBONYL)-D-PHENYLALANINE | A | 1YCI | 0.82 | |
IOY | P-IODO-D-PHENYLALANINE | A | 1XBU | 0.74 | |
APL | N-(1-BENZYL-3,3,3-TRIFLUORO-2,2- DIHYDROXY-PROPYL)-ACETAMIDE | B,C | 1GG6 | 0.78 | |
BBL | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A,I | 2H9H | 0.73 | |
BBL | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A,I | 2HAL | 0.73 | |
BBL | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A | 2A4O | 0.73 | |
BBL | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A,I | 2H6M | 0.73 | |
BBL | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A | 2CXV | 0.73 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY5 | 0.74 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY8 | 0.74 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY9 | 0.74 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XXZ | 0.74 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY4 | 0.74 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY6 | 0.74 | |
TFQ | 4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINE | A | 3D6V | 0.76 | |
HPI | N-(1-CARBOXY-3-PHENYLPROPYL)PHENYLALANYL- ALPHA-ASPARAGINE | A | 1U4G | 0.73 | |
FRF | PHE-REDUCED-PHE | A,I | 1GVX | 0.75 | |
HU2 | (2S)-({N-[(3S)-3-({N-[(2S,4E)-2- ISOPROPYL-7-METHYLOCT-4-ENOYL]- L-LEUCYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID | A,C | 2OC1 | 0.72 | |
MEA | N-METHYLPHENYLALANINE | A | 2PIL | 0.82 | |
MEA | N-METHYLPHENYLALANINE | A,B,C,D | 1H0I | 0.82 | |
MEA | N-METHYLPHENYLALANINE | A,B,I | 1DOJ | 0.82 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A,B | 2ZOF | 0.77 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 2HPT | 0.77 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 1TXR | 0.77 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 1XRY | 0.77 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 2EK9 | 0.77 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 1HS6 | 0.77 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 2DQM | 0.77 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 3EBH | 0.77 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 1GW6 | 0.77 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A,B | 2ZOG | 0.77 | |
KI2 | 3-BENZYLOXYCARBONYLAMINO-2-HYDROXY- 4-PHENYL-BUTYRIC ACID | A,B,I,J | 1NH0 | 0.71 | |
KI2 | 3-BENZYLOXYCARBONYLAMINO-2-HYDROXY- 4-PHENYL-BUTYRIC ACID | I | 1U8G | 0.71 | |
BNN | ACETYL-P-AMIDINOPHENYLALANINE | 2,3,4 | 8KME | 0.73 | |
BNN | ACETYL-P-AMIDINOPHENYLALANINE | H,I,J | 7KME | 0.73 | |
IYG | N-ALPHA-ACETYL-3,5-DIIODOTYROSYLGLYCINE | A | 1OPM | 0.72 | |
PME | N-L-ALPHA-ASPARTYL L-PHENYLALANINE 1- METHYL ESTER | H,L | 1A8J | 0.77 | |
ZAE | N-methyl-D-phenylalanine | H,I,R | 1TBZ | 0.82 | |
PG9 | D-PHENYLGLYCINE | A,B,G,H | 10GS | 0.71 | |
PG9 | D-PHENYLGLYCINE | A,B,C,D | 2B4K | 0.71 | |
KEL | N-[(2R)-2-benzyl-4-(hydroxyamino)- 4-oxobutanoyl]-L-alanine | X | 3B7U | 0.74 | |
PH0 | N-{(2S)-3-[(R)-[(1R)-1-amino-2- phenylethyl](hydroxy)phosphoryl]- 2-benzylpropanoyl}-L-phenylalanine | A | 2R59 | 0.71 | |
002 | N-[(2R)-2-BENZYL-4-(HYDROXYAMINO)- 4-OXOBUTANOYL]-L-ISOLEUCYL-L-LEUCINE | A,B | 2FV9 | 0.73 | |
PFF | 4-FLUORO-L-PHENYLALANINE | A | 3F3C | 0.78 | |
PFF | 4-FLUORO-L-PHENYLALANINE | A,C,E,F | 2UUE | 0.78 | |
PFF | 4-FLUORO-L-PHENYLALANINE | A | 1ZNT | 0.78 | |
PFF | 4-FLUORO-L-PHENYLALANINE | F,H | 1OL1 | 0.78 | |
PFF | 4-FLUORO-L-PHENYLALANINE | A,C,F,H | 2C5V | 0.78 | |
PFF | 4-FLUORO-L-PHENYLALANINE | E,F | 1OL2 | 0.78 | |
LPF | 1,1,1-TRIFLUORO-3-((N-ACETYL)-L- LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N- ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | G | 7GCH | 0.7 | |
BNH | [(N-{3-[(N-{CYCLOHEXYL[(ISOBUTOXYCARBONYL)AMINO]ACETYL}- 3-CYCLOPROPYLALANYL)AMINO]-4-CYCLOPROPYL- 2-OXOBUTANOYL}GLYCYL)AMINO](PHENYL)ACETIC ACID | A,C | 2A4R | 0.7 | |
ING | D-[(AMINO)CARBONYL]PHENYLALANINE | A,B | 1UF8 | 0.81 | |
ING | D-[(AMINO)CARBONYL]PHENYLALANINE | A,B,D,E | 1HDU | 0.81 | |
MPQ | N-METHYL-ALPHA-PHENYL-GLYCINE | D | 1D6E | 0.76 | |
U16 | METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY- 3-(4-ISOPROPYLPHENYL)PROPANOYL]- D-ALANYL-D-LEUCINATE | A | 2GG9 | 0.71 | |
PHI | IODO-PHENYLALANINE | A | 1TF9 | 0.74 | |
PHI | IODO-PHENYLALANINE | A,B,C,D | 1ORW | 0.74 | |
PHI | IODO-PHENYLALANINE | A | 1T6H | 0.74 | |
PHI | IODO-PHENYLALANINE | A,B,C | 1NLU | 0.74 | |
PHI | IODO-PHENYLALANINE | A,I | 1GA1 | 0.74 | |
PHI | IODO-PHENYLALANINE | A,I | 1GA4 | 0.74 | |
PHI | IODO-PHENYLALANINE | P | 1CZI | 0.74 | |
DPN | D-PHENYLALANINE | P | 1MCS | 0.76 | |
DPN | D-PHENYLALANINE | A | 1GOE | 0.76 | |
DPN | D-PHENYLALANINE | A | 2RM9 | 0.76 | |
DPN | D-PHENYLALANINE | A | 1SOC | 0.76 | |
DPN | D-PHENYLALANINE | B,C,E,F | 1SFQ | 0.76 | |
DPN | D-PHENYLALANINE | I | 1ABJ | 0.76 | |
DPN | D-PHENYLALANINE | P | 1DWE | 0.76 | |
DPN | D-PHENYLALANINE | I,M | 1HLT | 0.76 | |
DPN | D-PHENYLALANINE | A,H,L | 1J9C | 0.76 | |
DPN | D-PHENYLALANINE | I,T | 1TMB | 0.76 | |
DPN | D-PHENYLALANINE | A | 2JRY | 0.76 | |
DPN | D-PHENYLALANINE | A | 2SOC | 0.76 | |
DPN | D-PHENYLALANINE | A | 2YYF | 0.76 | |
DPN | D-PHENYLALANINE | I | 2HGT | 0.76 | |
DPN | D-PHENYLALANINE | A,D | 2Q3I | 0.76 | |
DPN | D-PHENYLALANINE | A,P | 1MCD | 0.76 | |
DPN | D-PHENYLALANINE | P | 1HAO | 0.76 | |
DPN | D-PHENYLALANINE | A,B,I | 1Z8J | 0.76 | |
DPN | D-PHENYLALANINE | A,B,C | 2PGQ | 0.76 | |
DPN | D-PHENYLALANINE | C,D,H,I,L,M, X,Y | 1DVA | 0.76 | |
DPN | D-PHENYLALANINE | P | 1NRR | 0.76 | |
DPN | D-PHENYLALANINE | I | 1PPB | 0.76 | |
DPN | D-PHENYLALANINE | C,D,G,H | 1NU7 | 0.76 | |
DPN | D-PHENYLALANINE | I | 2HPP | 0.76 | |
DPN | D-PHENYLALANINE | B,C | 2OD3 | 0.76 | |
DPN | D-PHENYLALANINE | A | 1B0Q | 0.76 | |
DPN | D-PHENYLALANINE | B,C,E,F | 1NU9 | 0.76 | |
DPN | D-PHENYLALANINE | A,B,I | 1Z8I | 0.76 | |
DPN | D-PHENYLALANINE | H,I,J | 1TMU | 0.76 | |
DPN | D-PHENYLALANINE | A,B,C,D,E,F | 2DNS | 0.76 | |
DPN | D-PHENYLALANINE | A | 1GO9 | 0.76 | |
DPN | D-PHENYLALANINE | B,C,E,F | 1A0H | 0.76 | |
DPN | D-PHENYLALANINE | P | 1MCF | 0.76 | |
DPN | D-PHENYLALANINE | A | 2RME | 0.76 | |
DPN | D-PHENYLALANINE | H,I | 1TMT | 0.76 | |
DPN | D-PHENYLALANINE | I | 1ABI | 0.76 | |
DPN | D-PHENYLALANINE | R | 1NRQ | 0.76 | |
DPN | D-PHENYLALANINE | B,C,F,G | 2A1D | 0.76 | |
DPN | D-PHENYLALANINE | A,B | 2Q33 | 0.76 | |
DPN | D-PHENYLALANINE | C,H,L | 1DAN | 0.76 | |
DPN | D-PHENYLALANINE | P | 1MCE | 0.76 | |
DPN | D-PHENYLALANINE | B,C,E,F | 2A45 | 0.76 | |
DPN | D-PHENYLALANINE | A | 2RMI | 0.76 | |
DPN | D-PHENYLALANINE | A,B,I | 1TQ7 | 0.76 | |
DPN | D-PHENYLALANINE | A | 1W7M | 0.76 | |
DPN | D-PHENYLALANINE | P | 1HAP | 0.76 | |
DPN | D-PHENYLALANINE | A,B | 1ORF | 0.76 | |
DPN | D-PHENYLALANINE | I | 1IHS | 0.76 | |
DPN | D-PHENYLALANINE | P | 1MCC | 0.76 | |
DPN | D-PHENYLALANINE | A | 2RMD | 0.76 | |
DPN | D-PHENYLALANINE | A | 2JQB | 0.76 | |
DPN | D-PHENYLALANINE | I | 2HPQ | 0.76 | |
DPN | D-PHENYLALANINE | C,E,F | 1SHH | 0.76 | |
DPN | D-PHENYLALANINE | A,I | 1CVR | 0.76 | |
DPN | D-PHENYLALANINE | L,P | 1AUT | 0.76 | |
DPN | D-PHENYLALANINE | P | 1MCI | 0.76 | |
DPN | D-PHENYLALANINE | H,I | 3F6U | 0.76 | |
DPN | D-PHENYLALANINE | A | 1BFW | 0.76 | |
DPN | D-PHENYLALANINE | H,I | 1HAI | 0.76 | |
DPN | D-PHENYLALANINE | B,C | 2THF | 0.76 | |
DPN | D-PHENYLALANINE | I | 1IHT | 0.76 | |
DPN | D-PHENYLALANINE | A,P | 1MCJ | 0.76 | |
DPN | D-PHENYLALANINE | A | 1TKH | 0.76 | |
DPN | D-PHENYLALANINE | C,H,L,T | 2FIR | 0.76 | |
DPN | D-PHENYLALANINE | A | 2FMZ | 0.76 | |
DPN | D-PHENYLALANINE | A | 1YL9 | 0.76 | |
DPN | D-PHENYLALANINE | I | 1HUT | 0.76 | |
DPN | D-PHENYLALANINE | I | 1FXY | 0.76 | |
DPN | D-PHENYLALANINE | A | 1YL8 | 0.76 | |
DPN | D-PHENYLALANINE | C,H,L | 1QFK | 0.76 | |
DPN | D-PHENYLALANINE | P | 1MCB | 0.76 | |
U11 | METHYL N-{(2S,3R)-3-AMINO-2-HYDROXY- 3-[4-(TRIFLUOROMETHYL)PHENYL]PROPANOYL}ALANYLGLYCINATE | A | 2GG0 | 0.74 | |
S2D | N-BENZOYL-D-ALANINE | A,B | 2JCI | 0.72 | |
FTY | DEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINE | C,D | 1A08 | 0.73 | |
FTY | DEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINE | C,D,E,F | 1QZ0 | 0.73 | |
FTY | DEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINE | C,D,E,F | 1XXV | 0.73 | |
LGG | N-ACETYL-L-ALPHA-GLUTAMYL-L-PHENYLALANYL- L-GLUTAMINYL-N-[(1S)-4-AMINO-1- (2-CARBOXYETHYL)-4-OXOBUTYL]-L- LEUCINAMIDE | A,B | 2IPH | 0.72 | |
LPR | [N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]- L-LYSYL-L-PROLINE | A,B | 1J36 | 0.74 | |
LPR | [N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]- L-LYSYL-L-PROLINE | A,B | 2C6N | 0.74 | |
LPR | [N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]- L-LYSYL-L-PROLINE | A | 1O86 | 0.74 | |
EAL | 1-((2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO}PROPANOYL)- L-PROLINE | A | 1UZE | 0.75 | |
TIO | (2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)- GLYCINE | E | 1ZDP | 0.7 | |
INF | D-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINE | A | 1HDQ | 0.8 | |
U15 | METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY- 3-(4-METHYLPHENYL)PROPANOYL]-D- ALANYL-D-LEUCINATE | A | 2GG8 | 0.72 | |
APD | 3-METHYLPHENYLALANINE | A,B,C | 1GMY | 0.75 | |
PF5 | 2,3,4,5,6-PENTAFLUORO-L-PHENYLALANINE | A | 2JM0 | 0.84 | |
NLT | N-DODECANOYL-L-TYROSINE | A,B,C,D,E,F, G,H | 2G0B | 0.73 | |
K7J | N-(3-carboxypropanoyl)-L-alanyl- L-alanyl-N-[(1S,2R)-1-benzyl-2- hydroxypropyl]-L-prolinamide | A | 2QXI | 0.71 | |
K7J | N-(3-carboxypropanoyl)-L-alanyl- L-alanyl-N-[(1S,2R)-1-benzyl-2- hydroxypropyl]-L-prolinamide | A | 2QXH | 0.71 | |
K7J | N-(3-carboxypropanoyl)-L-alanyl- L-alanyl-N-[(1S,2R)-1-benzyl-2- hydroxypropyl]-L-prolinamide | A | 2QXJ | 0.71 | |
WR1 | NALPHA-[(BENZYLOXY)CARBONYL]-N- [(1R)-4-HYDROXY-1-METHYL-2-OXOBUTYL]- L-PHENYLALANINAMIDE | A,B | 2OP9 | 0.7 | |
CT2 | 1-(PHENYLMETHYL)CYCLOPENTYL[(1S)- 1-FORMYLPENTYL]CARBAMATE | A | 2AUZ | 0.75 | |
S17 | methyl 4-bromo-N-[8-(hydroxyamino)- 8-oxooctanoyl]-L-phenylalaninate | A,B,C,D | 2VCG | 0.72 | |
BR4 | 6-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)- HEXANOIC ACID | A | 1KQU | 0.72 | |
WRG | N~2~-acetyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]- L-ornithyl-N-methyl-L-phenylalanine | A,B | 3CHD | 0.73 | |
APF | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | B,C | 1GG6 | 0.74 | |
APF | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | G | 6GCH | 0.74 | |
BO9 | N1-[(1R)-1-(DIHYDROXYBORYL)ETHYL]- N2-[(TERT-BUTOXYCARBONYL)-D-GAMMA- GLUTAMYL]-N6-[(BENZYLOXY)CARBONYL- L-LYSINAMIDE | A | 1Z6F | 0.7 | |
ZYZ | (4-{(2S)-2-[(tert-butoxycarbonyl)amino]- 3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid | A | 3D9C | 0.84 |