Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02839965
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 |
CLD | D-PARA-CHLOROPHENYL-1-ACTEAMIDOBORONIC ACID ALANINE | A | 1AVT | 0.74 | |
CT1 | (1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)- 1-FORMYLPENTYL]CARBAMATE | A | 2AUX | 0.75 | |
MX3 | (1-{4-[BENZYL(METHYL)AMINO]-4-OXOBUTANOYL}HYDRAZINO)ACETIC ACID | I | 2C2O | 0.72 | |
SRD | D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 4VGC | 0.74 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBM | 0.72 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBD | 0.72 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1P06 | 0.72 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 1GBI | 0.72 | |
B2F | PHENYLALANINE BORONIC ACID | A,P | 8LPR | 0.72 | |
BNF | N-BENZYLFORMAMIDE | A,B | 1U3U | 0.75 | |
INT | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE | A | 3TLH | 0.71 | |
INT | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE | A | 1B11 | 0.71 | |
INT | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE | A | 6FIV | 0.71 | |
INT | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE | A | 5FIV | 0.71 | |
INT | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE | A | 2HAH | 0.71 | |
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 | 0.71 | |
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 | |
PLH | METHYLAMINO-PHENYLALANYL-LEUCYL- HYDROXAMIC ACID | A | 1HFC | 0.7 | |
PLH | METHYLAMINO-PHENYLALANYL-LEUCYL- HYDROXAMIC ACID | A | 1MNC | 0.7 | |
357 | 5-ETHYL-3-[(2-METHOXYETHYL)METHYLAMINO]- 6-METHYL-4-(3-METHYLBENZYL)PYRIDIN- 2(1H)-ONE | A | 2BAN | 0.75 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY5 | 0.7 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY8 | 0.7 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY9 | 0.7 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XXZ | 0.7 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY4 | 0.7 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY6 | 0.7 | |
TI1 | [2(R,S)-2-SULFANYLHEPTANOYL]-PHE- ALA | A | 1R1I | 0.73 | |
TI1 | [2(R,S)-2-SULFANYLHEPTANOYL]-PHE- ALA | A | 1QF1 | 0.73 | |
UNH | ({1-[1-CARBAMOYL-PHENYL-METHYL)- CARBAMOYL]-METHYL}-AMINOOXALYL)- BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)- CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER | A,C | 2A4G | 0.72 | |
DI5 | AC-(D)PHE-PRO-BOROHOMOORNITHINE- OH | H | 1LHG | 0.72 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,C | 2AOI | 0.7 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOF | 0.7 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOJ | 0.7 | |
FRD | 1-PHENYL-2-AMINOPROPANE | A,B,C | 2AOH | 0.7 | |
CPU | A,B | 1CR6 | 0.74 | ||
HPH | PHENYLALANINDIOL | I | 1E5O | 0.7 | |
HPH | PHENYLALANINDIOL | A,B | 1ODX | 0.7 | |
HPH | PHENYLALANINDIOL | A,B | 1MTB | 0.7 | |
HPH | PHENYLALANINDIOL | A,B | 2FGV | 0.7 | |
HPH | PHENYLALANINDIOL | A | 1ODW | 0.7 | |
HPH | PHENYLALANINDIOL | A,B | 2FGU | 0.7 | |
HPH | PHENYLALANINDIOL | A,B | 1HXB | 0.7 | |
ZFB | (3R)-3-{[(BENZYLOXY)CARBONYL]AMINO}- 2-OXO-4-PHENYLBUTANE-1-DIAZONIUM | A,B,C,D | 1PVJ | 0.7 | |
ZAE | N-methyl-D-phenylalanine | H,I,R | 1TBZ | 0.72 | |
LHY | L-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINE | A,B,D,E | 1HEE | 0.71 | |
FAF | 2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1- FORMYL-2-PHENYL-ETHYL)-AMIDE | B,C | 1GGD | 0.75 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.77 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.77 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.77 | |
V35 | D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID | B,C | 2VGC | 0.74 | |
AZL | 1-ETHOXYCARBONYL-D-PHE-PRO-2(4- AMINOBUTYL)HYDRAZINE | H,I | 1AE8 | 0.74 | |
ING | D-[(AMINO)CARBONYL]PHENYLALANINE | A,B | 1UF8 | 0.73 | |
ING | D-[(AMINO)CARBONYL]PHENYLALANINE | A,B,D,E | 1HDU | 0.73 | |
S17 | methyl 4-bromo-N-[8-(hydroxyamino)- 8-oxooctanoyl]-L-phenylalaninate | A,B,C,D | 2VCG | 0.71 | |
KHA | 1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)- 1-METHYLPIPERIDINIUM | H,L,X,Y | 1UWG | 0.73 | |
TZT | SOBLIDOTIN | A,B,C,D | 3E22 | 0.7 | |
SRB | L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 3VGC | 0.74 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.71 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A,B | 2ZOF | 0.72 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 2HPT | 0.72 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 1TXR | 0.72 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 1XRY | 0.72 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 2EK9 | 0.72 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 1HS6 | 0.72 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 2DQM | 0.72 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 3EBH | 0.72 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 1GW6 | 0.72 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A,B | 2ZOG | 0.72 | |
APE | (1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACID | E,I | 1SCN | 0.82 | |
MIN | METHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINE | H,I | 1TOM | 0.7 | |
PSS | ETHYLAMINOBENZYLMETHYLCARBONYL GROUP | A | 1EAG | 0.73 | |
S2D | N-BENZOYL-D-ALANINE | A,B | 2JCI | 0.7 | |
BBL | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A,I | 2H9H | 0.71 | |
BBL | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A,I | 2HAL | 0.71 | |
BBL | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A | 2A4O | 0.71 | |
BBL | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A,I | 2H6M | 0.71 | |
BBL | N-[(BENZYLOXY)CARBONYL]-L-ALANINE | A | 2CXV | 0.71 | |
NDF | N-(CARBOXYCARBONYL)-D-PHENYLALANINE | A | 1YCI | 0.72 | |
RRT | (R)-RETRO-THIORPHAN | E | 1Z9G | 0.71 | |
PHC | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIM | 0.73 | |
PHC | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIL | 0.73 | |
MY4 | (1-{(3S)-3-HYDROXY-4-OXO-4-[(2- PHENYLETHYL)AMINO]BUTANOYL}HYDRAZINO)ACETIC ACID | A | 2CNO | 0.73 | |
D7G | ((1S)-1-((((1S)-1-BENZYL-3-(CYCLOPROPYLAMINO)- 2,3-DIOXOPROPYL)AMINO)CARBONYL)- 3-METHYLBUTYL)CARBAMIC ACID 5-METHOXY- 3-OXAPENTYL ESTER | A | 2G8J | 0.75 | |
K7I | L-alanyl-N-[(1S,2R)-1-benzyl-2- hydroxypropyl]-L-alaninamide | A,B | 2QXG | 0.76 | |
BAC | N-(4-IODO-BENZYL)-FORMAMIDE | A,B,C,D | 2WPO | 0.73 | |
ICX | methyl N-[(5Z)-6-({[4-(4-iodobenzyl)phenyl]carbonyl}amino)hex- 5-enoyl]glycinate | A,C,D,E,G,P, Q,R,W | 3CWB | 0.7 | |
GAN | 2-[3-BENZYL-5-(1-ALANYL-AMINOETHYL)- 2,3,6,7-TETRAHYDRO-1H-AZEPIN-1- YL]-1-OXOPROPYL-VALINYL-VALINE- METHYLESTER | A | 1HBV | 0.77 | |
INF | D-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINE | A | 1HDQ | 0.71 | |
OIR | N-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINE | A | 1R1J | 0.71 | |
SBL | L-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINE | A | 1AV7 | 0.73 | |
ALD | CARBOBENZYLOXYLEUCINYL-LEUCINYL- LEUCINAL | A | 1BP4 | 0.71 | |
MEA | N-METHYLPHENYLALANINE | A | 2PIL | 0.72 | |
MEA | N-METHYLPHENYLALANINE | A,B,C,D | 1H0I | 0.72 | |
MEA | N-METHYLPHENYLALANINE | A,B,I | 1DOJ | 0.72 | |
KEL | N-[(2R)-2-benzyl-4-(hydroxyamino)- 4-oxobutanoyl]-L-alanine | X | 3B7U | 0.73 | |
MN2 | 1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE | N | 1NLO | 0.74 | |
APF | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | B,C | 1GG6 | 0.72 | |
APF | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | G | 6GCH | 0.72 | |
EOA | N-PHENETHYL-FORMAMIDE | H,I | 1A5G | 0.81 | |
4FP | 4-(4-FLUOROBENZYL)PIPERIDINE | A | 2OHN | 0.7 | |
ZYZ | (4-{(2S)-2-[(tert-butoxycarbonyl)amino]- 3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid | A | 3D9C | 0.77 | |
959 | benzyl (2-oxopropyl)carbamate | A | 3D62 | 0.73 | |
TR1 | 2-(2-{2-[(BIPHENYL-4-YLMETHYL)- AMINO]-3-MERCAPTO-PENTANOYLAMINO}- ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER | A,B | 1C8T | 0.72 | |
TR1 | 2-(2-{2-[(BIPHENYL-4-YLMETHYL)- AMINO]-3-MERCAPTO-PENTANOYLAMINO}- ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER | A,B | 1C3I | 0.72 | |
J54 | (2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}- 2-HYDROXYPROPANOIC ACID | A | 2V35 | 0.72 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | A,I | 1LZQ | 0.7 | |
PO0 | 1-BENZYL-(R)-PROPYLAMINE | B,I | 1M0B | 0.7 | |
APL | N-(1-BENZYL-3,3,3-TRIFLUORO-2,2- DIHYDROXY-PROPYL)-ACETAMIDE | B,C | 1GG6 | 0.76 | |
DI4 | AC-(D)PHE-PRO-BOROHOMOLYS-OH | H | 1LHF | 0.71 | |
CT2 | 1-(PHENYLMETHYL)CYCLOPENTYL[(1S)- 1-FORMYLPENTYL]CARBAMATE | A | 2AUZ | 0.74 | |
M25 | N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE | A,B | 2NMX | 0.74 | |
M25 | N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE | A | 2NNS | 0.74 | |
PFX | (2S)-1-({2-[2-(carboxymethoxy)ethoxy]ethyl}amino)- 1-oxo-3-(4-phosphonophenyl)propan- 2-aminium | A | 2K9E | 0.72 | |
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 | 0.71 | |
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 | 0.71 | |
MKC | 6-BENZYL-1-ETHOXYMETHYL-5-ISOPROPYL URACIL | A | 1RT1 | 0.72 | |
PEA | 2-PHENYLETHYLAMINE | A,B,E,F,G,H | 1MHW | 0.71 | |
PEA | 2-PHENYLETHYLAMINE | A | 1TNJ | 0.71 | |
PEA | 2-PHENYLETHYLAMINE | D,H | 2HKM | 0.71 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTO | 0.71 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Y | 0.71 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6Z | 0.71 | |
PEA | 2-PHENYLETHYLAMINE | A,B | 1D6U | 0.71 | |
PEA | 2-PHENYLETHYLAMINE | A | 1UTM | 0.71 | |
DPK | DEPRENYL | A,B | 2BYB | 0.72 | |
PME | N-L-ALPHA-ASPARTYL L-PHENYLALANINE 1- METHYL ESTER | H,L | 1A8J | 0.73 | |
FPA | 1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE | E,I | 4EST | 0.78 | |
TIO | (2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)- GLYCINE | E | 1ZDP | 0.72 | |
CLB | D-PARA-CHLOROPHENYL-1-ACETAMIDOBORONIC ACID ALANINE | A | 1VSB | 0.74 | |
SBD | D-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINE | A | 3VSB | 0.73 | |
V36 | L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID | B,C | 1VGC | 0.74 | |
DI2 | AC-(D)PHE-PRO-BOROLYS-OH | H | 1LHD | 0.71 |