Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02350430
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 |
YC2 | N-{[(1S)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}- L-glutamic acid | A | 3D7H | 0.7 | |
ZYZ | (4-{(2S)-2-[(tert-butoxycarbonyl)amino]- 3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid | A | 3D9C | 0.71 | |
TI1 | [2(R,S)-2-SULFANYLHEPTANOYL]-PHE- ALA | A | 1R1I | 0.74 | |
TI1 | [2(R,S)-2-SULFANYLHEPTANOYL]-PHE- ALA | A | 1QF1 | 0.74 | |
PG9 | D-PHENYLGLYCINE | A,B,G,H | 10GS | 0.78 | |
PG9 | D-PHENYLGLYCINE | A,B,C,D | 2B4K | 0.78 | |
APH | P-AMIDINOPHENYL-3-ALANINE | E,I | 1PPC | 0.71 | |
APH | P-AMIDINOPHENYL-3-ALANINE | H | 1ETS | 0.71 | |
APH | P-AMIDINOPHENYL-3-ALANINE | H | 1ETT | 0.71 | |
APH | P-AMIDINOPHENYL-3-ALANINE | I | 1QUR | 0.71 | |
DPN | D-PHENYLALANINE | P | 1MCS | 0.77 | |
DPN | D-PHENYLALANINE | A | 1GOE | 0.77 | |
DPN | D-PHENYLALANINE | A | 2RM9 | 0.77 | |
DPN | D-PHENYLALANINE | A | 1SOC | 0.77 | |
DPN | D-PHENYLALANINE | B,C,E,F | 1SFQ | 0.77 | |
DPN | D-PHENYLALANINE | I | 1ABJ | 0.77 | |
DPN | D-PHENYLALANINE | P | 1DWE | 0.77 | |
DPN | D-PHENYLALANINE | I,M | 1HLT | 0.77 | |
DPN | D-PHENYLALANINE | A,H,L | 1J9C | 0.77 | |
DPN | D-PHENYLALANINE | I,T | 1TMB | 0.77 | |
DPN | D-PHENYLALANINE | A | 2JRY | 0.77 | |
DPN | D-PHENYLALANINE | A | 2SOC | 0.77 | |
DPN | D-PHENYLALANINE | A | 2YYF | 0.77 | |
DPN | D-PHENYLALANINE | I | 2HGT | 0.77 | |
DPN | D-PHENYLALANINE | A,D | 2Q3I | 0.77 | |
DPN | D-PHENYLALANINE | A,P | 1MCD | 0.77 | |
DPN | D-PHENYLALANINE | P | 1HAO | 0.77 | |
DPN | D-PHENYLALANINE | A,B,I | 1Z8J | 0.77 | |
DPN | D-PHENYLALANINE | A,B,C | 2PGQ | 0.77 | |
DPN | D-PHENYLALANINE | C,D,H,I,L,M, X,Y | 1DVA | 0.77 | |
DPN | D-PHENYLALANINE | P | 1NRR | 0.77 | |
DPN | D-PHENYLALANINE | I | 1PPB | 0.77 | |
DPN | D-PHENYLALANINE | C,D,G,H | 1NU7 | 0.77 | |
DPN | D-PHENYLALANINE | I | 2HPP | 0.77 | |
DPN | D-PHENYLALANINE | B,C | 2OD3 | 0.77 | |
DPN | D-PHENYLALANINE | A | 1B0Q | 0.77 | |
DPN | D-PHENYLALANINE | B,C,E,F | 1NU9 | 0.77 | |
DPN | D-PHENYLALANINE | A,B,I | 1Z8I | 0.77 | |
DPN | D-PHENYLALANINE | H,I,J | 1TMU | 0.77 | |
DPN | D-PHENYLALANINE | A,B,C,D,E,F | 2DNS | 0.77 | |
DPN | D-PHENYLALANINE | A | 1GO9 | 0.77 | |
DPN | D-PHENYLALANINE | B,C,E,F | 1A0H | 0.77 | |
DPN | D-PHENYLALANINE | P | 1MCF | 0.77 | |
DPN | D-PHENYLALANINE | A | 2RME | 0.77 | |
DPN | D-PHENYLALANINE | H,I | 1TMT | 0.77 | |
DPN | D-PHENYLALANINE | I | 1ABI | 0.77 | |
DPN | D-PHENYLALANINE | R | 1NRQ | 0.77 | |
DPN | D-PHENYLALANINE | B,C,F,G | 2A1D | 0.77 | |
DPN | D-PHENYLALANINE | A,B | 2Q33 | 0.77 | |
DPN | D-PHENYLALANINE | C,H,L | 1DAN | 0.77 | |
DPN | D-PHENYLALANINE | P | 1MCE | 0.77 | |
DPN | D-PHENYLALANINE | B,C,E,F | 2A45 | 0.77 | |
DPN | D-PHENYLALANINE | A | 2RMI | 0.77 | |
DPN | D-PHENYLALANINE | A,B,I | 1TQ7 | 0.77 | |
DPN | D-PHENYLALANINE | A | 1W7M | 0.77 | |
DPN | D-PHENYLALANINE | P | 1HAP | 0.77 | |
DPN | D-PHENYLALANINE | A,B | 1ORF | 0.77 | |
DPN | D-PHENYLALANINE | I | 1IHS | 0.77 | |
DPN | D-PHENYLALANINE | P | 1MCC | 0.77 | |
DPN | D-PHENYLALANINE | A | 2RMD | 0.77 | |
DPN | D-PHENYLALANINE | A | 2JQB | 0.77 | |
DPN | D-PHENYLALANINE | I | 2HPQ | 0.77 | |
DPN | D-PHENYLALANINE | C,E,F | 1SHH | 0.77 | |
DPN | D-PHENYLALANINE | A,I | 1CVR | 0.77 | |
DPN | D-PHENYLALANINE | L,P | 1AUT | 0.77 | |
DPN | D-PHENYLALANINE | P | 1MCI | 0.77 | |
DPN | D-PHENYLALANINE | H,I | 3F6U | 0.77 | |
DPN | D-PHENYLALANINE | A | 1BFW | 0.77 | |
DPN | D-PHENYLALANINE | H,I | 1HAI | 0.77 | |
DPN | D-PHENYLALANINE | B,C | 2THF | 0.77 | |
DPN | D-PHENYLALANINE | I | 1IHT | 0.77 | |
DPN | D-PHENYLALANINE | A,P | 1MCJ | 0.77 | |
DPN | D-PHENYLALANINE | A | 1TKH | 0.77 | |
DPN | D-PHENYLALANINE | C,H,L,T | 2FIR | 0.77 | |
DPN | D-PHENYLALANINE | A | 2FMZ | 0.77 | |
DPN | D-PHENYLALANINE | A | 1YL9 | 0.77 | |
DPN | D-PHENYLALANINE | I | 1HUT | 0.77 | |
DPN | D-PHENYLALANINE | I | 1FXY | 0.77 | |
DPN | D-PHENYLALANINE | A | 1YL8 | 0.77 | |
DPN | D-PHENYLALANINE | C,H,L | 1QFK | 0.77 | |
DPN | D-PHENYLALANINE | P | 1MCB | 0.77 | |
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 | |
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 | 0.73 | |
APD | 3-METHYLPHENYLALANINE | A,B,C | 1GMY | 0.76 | |
CBL | CHLORAMBUCIL | A,B | 3CSJ | 0.72 | |
FRF | PHE-REDUCED-PHE | A,I | 1GVX | 0.77 | |
MY3 | [N-(3-BENZYLCARBAMOYL-OXIRANECARBONYL)- HYDRAZINO] - ACETIC ACID | A,I | 2CNL | 0.73 | |
TPR | TOSYL-D-PROLINE | A | 1F4E | 0.75 | |
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 | |
S2D | N-BENZOYL-D-ALANINE | A,B | 2JCI | 0.81 | |
APL | N-(1-BENZYL-3,3,3-TRIFLUORO-2,2- DIHYDROXY-PROPYL)-ACETAMIDE | B,C | 1GG6 | 0.73 | |
CXA | PHENYLALANINE-N-SULFONAMIDE | A | 1IY7 | 0.73 | |
OIR | N-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINE | A | 1R1J | 0.72 | |
BTM | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.77 | |
DMX | 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE- 1-SULFONATE | A,B,C,D | 1TP7 | 0.72 | |
HPE | HOMOPHENYLALANINE | A,B | 1B1H | 0.75 | |
S27 | N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT- 4-YL-N]-BENZYL-P-[PHENYL]-P-[METHYL]PHOSPHINAMID | A,B | 1B3D | 0.72 | |
HMF | 2-AMINO-4-PHENYL-BUTYRIC ACID | I,J | 1AY6 | 0.75 | |
PNC | PARA-NITROBENZYL GLUTARYL GLYCINIC ACID | L | 1YEF | 0.7 | |
K7I | L-alanyl-N-[(1S,2R)-1-benzyl-2- hydroxypropyl]-L-alaninamide | A,B | 2QXG | 0.73 | |
TIO | (2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)- GLYCINE | E | 1ZDP | 0.71 | |
1PA | PHENYLMETHYLACETIC ACID ALANINE | I | 1BHF | 0.72 | |
MN2 | 1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE | N | 1NLO | 0.81 | |
G23 | (2R,4S)-2-[(R)-BENZYLCARBAMOYL- PHENYLACETYL-METHYL]-5,5-DIMETHYL- THIAZOLIDINE-4-CARBOXYLIC ACID | A | 1HTE | 0.71 | |
BNN | ACETYL-P-AMIDINOPHENYLALANINE | 2,3,4 | 8KME | 0.74 | |
BNN | ACETYL-P-AMIDINOPHENYLALANINE | H,I,J | 7KME | 0.74 | |
INF | D-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINE | A | 1HDQ | 0.74 | |
MPQ | N-METHYL-ALPHA-PHENYL-GLYCINE | D | 1D6E | 0.84 | |
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 | |
MBH | 1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM ION | A | 1BMA | 0.75 | |
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 | |
IOY | P-IODO-D-PHENYLALANINE | A | 1XBU | 0.75 | |
R1F | 3-{[(2,2,5,5-TETRAMETHYL-1-OXO- 4-PHENYL-2,5-DIHYDRO-1H-PYRROLIUM- 3-YL)METHYL]DISULFANYL}-D-ALANINE | A | 1ZUR | 0.73 | |
ZAE | N-methyl-D-phenylalanine | H,I,R | 1TBZ | 0.82 | |
PHI | IODO-PHENYLALANINE | A | 1TF9 | 0.75 | |
PHI | IODO-PHENYLALANINE | A,B,C,D | 1ORW | 0.75 | |
PHI | IODO-PHENYLALANINE | A | 1T6H | 0.75 | |
PHI | IODO-PHENYLALANINE | A,B,C | 1NLU | 0.75 | |
PHI | IODO-PHENYLALANINE | A,I | 1GA1 | 0.75 | |
PHI | IODO-PHENYLALANINE | A,I | 1GA4 | 0.75 | |
PHI | IODO-PHENYLALANINE | P | 1CZI | 0.75 | |
PME | N-L-ALPHA-ASPARTYL L-PHENYLALANINE 1- METHYL ESTER | H,L | 1A8J | 0.72 | |
ING | D-[(AMINO)CARBONYL]PHENYLALANINE | A,B | 1UF8 | 0.76 | |
ING | D-[(AMINO)CARBONYL]PHENYLALANINE | A,B,D,E | 1HDU | 0.76 | |
NDF | N-(CARBOXYCARBONYL)-D-PHENYLALANINE | A | 1YCI | 0.77 | |
TNS | A,B,L | 2G2R | 0.7 | ||
LPR | [N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]- L-LYSYL-L-PROLINE | A,B | 1J36 | 0.72 | |
LPR | [N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]- L-LYSYL-L-PROLINE | A,B | 2C6N | 0.72 | |
LPR | [N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]- L-LYSYL-L-PROLINE | A | 1O86 | 0.72 | |
4PH | 4-methyl-L-phenylalanine | B,C | 3BV9 | 0.76 | |
MY1 | [N-(3-DIBENZYLCARBAMOYL-OXIRANECARBONYL)- HYDRAZINO]-ACETIC ACID | I | 2CDR | 0.73 | |
DOF | (S)-2-(4-NITROBENZYL)-1,4,7,10- TETRAAZACYCLODODECANE-N,N',N'',N'''- TETRAACETATE | A,B,C,D | 1NC4 | 0.72 | |
4AF | 4-ACETYL-L-PHENYLALANINE | A | 1ZH6 | 0.71 | |
DPK | DEPRENYL | A,B | 2BYB | 0.75 | |
GG3 | {1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE- 1,1-DIYL}BIS(PHOSPHONIC ACID) | A,B | 2P1C | 0.72 | |
GG3 | {1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE- 1,1-DIYL}BIS(PHOSPHONIC ACID) | A,B | 2Z7H | 0.72 | |
GAN | 2-[3-BENZYL-5-(1-ALANYL-AMINOETHYL)- 2,3,6,7-TETRAHYDRO-1H-AZEPIN-1- YL]-1-OXOPROPYL-VALINYL-VALINE- METHYLESTER | A | 1HBV | 0.72 | |
NDL | N-BENZOYL-L-NORLEUCYL-L-LYSYL-L- ARGINYL-L-ARGININE | B | 2FP7 | 0.7 | |
WRG | N~2~-acetyl-N~5~-[N-(methylcarbamoyl)carbamimidoyl]- L-ornithyl-N-methyl-L-phenylalanine | A,B | 3CHD | 0.7 | |
PSS | ETHYLAMINOBENZYLMETHYLCARBONYL GROUP | A | 1EAG | 0.71 | |
PHC | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIM | 0.74 | |
PHC | N-METHYL-N-(METHYLBENZYL)FORMAMIDE | A,B | 1BIL | 0.74 | |
NPG | N-SUCCINYL PHENYLGLYCINE | A,B,C,D | 1SJD | 0.77 | |
APM | M-AMIDINOPHENYL-3-ALANINE | E | 1PPH | 0.71 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B,C,D | 1SN9 | 0.75 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B | 1SNE | 0.75 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B,C,D | 1SNA | 0.75 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B | 1XOF | 0.75 | |
X9Q | {(2S)-2-[(1S)-1-AMINOETHYL]-4-BENZYL- 5-OXO-2,5-DIHYDRO-1H-IMIDAZOL-1- YL}ACETIC ACID | A | 2HGD | 0.71 | |
KEL | N-[(2R)-2-benzyl-4-(hydroxyamino)- 4-oxobutanoyl]-L-alanine | X | 3B7U | 0.75 | |
LHY | L-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINE | A,B,D,E | 1HEE | 0.74 | |
RMA | N-[(1S)-2,3-DIHYDRO-1H-INDEN-1- YL]-N-METHYL-N-PROP-2-YNYLAMINE | A,B | 1S3B | 0.71 | |
BAV | (3S,14R,16S)-16-[(1R)-1-hydroxy- 2-{[3-(1-methylethyl)benzyl]amino}ethyl]- 3,4,14-trimethyl-1,4-diazacyclohexadecane- 2,5-dione | A,B,C | 3DV5 | 0.72 | |
W22 | [(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro- 1H-1,4-benzodiazepin-2-yl]acetic acid | A,B | 2WKW | 0.7 | |
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 | |
SK3 | (1R,2R,3S,4S,5R)-5-(BENZYLAMINO)CYCLOPENTANE- 1,2,3,4-TETROL | A | 2F7R | 0.7 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY5 | 0.83 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY8 | 0.83 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY9 | 0.83 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XXZ | 0.83 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY4 | 0.83 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY6 | 0.83 | |
MY5 | {1-[(3S)-4-{[(1S)-2-(BENZYLAMINO)- 1-METHYL-2-OXOETHYL]AMINO}-3-HYDROXY- 4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID | I | 2CNN | 0.73 | |
MX3 | (1-{4-[BENZYL(METHYL)AMINO]-4-OXOBUTANOYL}HYDRAZINO)ACETIC ACID | I | 2C2O | 0.83 | |
EAL | 1-((2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO}PROPANOYL)- L-PROLINE | A | 1UZE | 0.73 | |
BCS | BENZYLCYSTEINE | A,B,G,H | 10GS | 0.7 | |
BCS | BENZYLCYSTEINE | A | 1EH8 | 0.7 | |
PFF | 4-FLUORO-L-PHENYLALANINE | A | 3F3C | 0.75 | |
PFF | 4-FLUORO-L-PHENYLALANINE | A,C,E,F | 2UUE | 0.75 | |
PFF | 4-FLUORO-L-PHENYLALANINE | A | 1ZNT | 0.75 | |
PFF | 4-FLUORO-L-PHENYLALANINE | F,H | 1OL1 | 0.75 | |
PFF | 4-FLUORO-L-PHENYLALANINE | A,C,F,H | 2C5V | 0.75 | |
PFF | 4-FLUORO-L-PHENYLALANINE | E,F | 1OL2 | 0.75 | |
TFQ | 4-(2,2,2-TRIFLUOROETHYL)-L-PHENYLALANINE | A | 3D6V | 0.72 | |
LO1 | [[4-(AMINOMETHYL)PHENYL]AMINO]OXO- ACETIC ACID, | A | 1WAX | 0.72 | |
002 | N-[(2R)-2-BENZYL-4-(HYDROXYAMINO)- 4-OXOBUTANOYL]-L-ISOLEUCYL-L-LEUCINE | A,B | 2FV9 | 0.72 | |
MN7 | 1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE | N | 1NLO | 0.71 | |
J54 | (2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}- 2-HYDROXYPROPANOIC ACID | A | 2V35 | 0.7 |