Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03435160
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 |
15M | (5Z)-7-{(1R,2R,3R,5S)-3,5-DIHYDROXY- 2-[(1E,3S)-3-HYDROXY-5-PHENYLPENT- 1-ENYL]CYCLOPENTYL}-N-ETHYLHEPT- 5-ENAMIDE | A | 2F38 | 0.76 | |
GB7 | (3R,4R,5R)-3,4-dihydroxy-5-({[(1R)- 2-hydroxy-1-phenylethyl]amino}methyl)- 1-methylpyrrolidin-2-one | A | 3DDG | 0.73 | |
HAL | N-{[2-({[1-(4-CARBOXYBUTANOYL)AMINO]- 2-PHENYLETHYL}-HYDROXYPHOSPHINYL)OXY]ACETYL}- 2-PHENYLETHYLAMINE | A,B,H | 1MJJ | 0.7 | |
HAL | N-{[2-({[1-(4-CARBOXYBUTANOYL)AMINO]- 2-PHENYLETHYL}-HYDROXYPHOSPHINYL)OXY]ACETYL}- 2-PHENYLETHYLAMINE | B,H | 1MH5 | 0.7 | |
HAL | N-{[2-({[1-(4-CARBOXYBUTANOYL)AMINO]- 2-PHENYLETHYL}-HYDROXYPHOSPHINYL)OXY]ACETYL}- 2-PHENYLETHYLAMINE | H | 1MJ7 | 0.7 | |
RRT | (R)-RETRO-THIORPHAN | E | 1Z9G | 0.7 | |
HPH | PHENYLALANINDIOL | I | 1E5O | 0.72 | |
HPH | PHENYLALANINDIOL | A,B | 1ODX | 0.72 | |
HPH | PHENYLALANINDIOL | A,B | 1MTB | 0.72 | |
HPH | PHENYLALANINDIOL | A,B | 2FGV | 0.72 | |
HPH | PHENYLALANINDIOL | A | 1ODW | 0.72 | |
HPH | PHENYLALANINDIOL | A,B | 2FGU | 0.72 | |
HPH | PHENYLALANINDIOL | A,B | 1HXB | 0.72 | |
GB1 | (2R,3R,4S)-2-({[(1R)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE- 3,4-DIOL | A | 2F18 | 0.75 | |
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 | |
BZD | A | 1K06 | 0.7 | ||
BZD | A | 1K08 | 0.7 | ||
BZD | A | 2QNB | 0.7 | ||
R99 | N-[3-CARBOXY-2-HYDROXY-PROPIONYL]- D-HOMOPHENYLALANYL-AMINO-2-METHYLBUTANE | A | 1EWL | 0.72 | |
GB2 | (2R,3R,4S)-2-({[(1S)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE- 3,4-DIOL | A | 2F1A | 0.75 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A,B | 2ZOF | 0.75 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 2HPT | 0.75 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 1TXR | 0.75 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 1XRY | 0.75 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 2EK9 | 0.75 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 1HS6 | 0.75 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 2DQM | 0.75 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 3EBH | 0.75 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 1GW6 | 0.75 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A,B | 2ZOG | 0.75 | |
GSB | S-BENZYL-GLUTATHIONE | A,B,C,D | 1FRO | 0.71 | |
GSB | S-BENZYL-GLUTATHIONE | A,B,C,D | 1GUH | 0.71 | |
SP8 | N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNS | 0.72 | |
ALD | CARBOBENZYLOXYLEUCINYL-LEUCINYL- LEUCINAL | A | 1BP4 | 0.7 | |
EOA | N-PHENETHYL-FORMAMIDE | H,I | 1A5G | 0.7 | |
216 | [4-R-(4-ALPHA,6-BETA,7-BETA]-HEXAHYDRO- 5,6-DI(HYDROXY)-1,3-DI(ALLYL)-4,7- BISPHENYLMETHYL)-2H-1,3-DIAZEPINONE | B | 1HWR | 0.71 | |
VAC | N,N-BIS(2-HYDROXY-1-INDANYL)-2,6- DIPHENYLMETHYL-4-HYDROXY-1,7-HEPTANDIAMIDE | B | 4PHV | 0.7 | |
K7J | N-(3-carboxypropanoyl)-L-alanyl- L-alanyl-N-[(1S,2R)-1-benzyl-2- hydroxypropyl]-L-prolinamide | A | 2QXI | 0.73 | |
K7J | N-(3-carboxypropanoyl)-L-alanyl- L-alanyl-N-[(1S,2R)-1-benzyl-2- hydroxypropyl]-L-prolinamide | A | 2QXH | 0.73 | |
K7J | N-(3-carboxypropanoyl)-L-alanyl- L-alanyl-N-[(1S,2R)-1-benzyl-2- hydroxypropyl]-L-prolinamide | A | 2QXJ | 0.73 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | A,B,I | 1ZSR | 0.75 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1ZJ7 | 0.75 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1ZLF | 0.75 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1HEG | 0.75 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1FQX | 0.75 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | A,B,I | 1IIQ | 0.75 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1HEF | 0.75 | |
SK3 | (1R,2R,3S,4S,5R)-5-(BENZYLAMINO)CYCLOPENTANE- 1,2,3,4-TETROL | A | 2F7R | 0.81 | |
LAZ | N-(2-AMINOETHYL)-P-CHLOROBENZAMIDE | A,B | 1OJC | 0.72 | |
ATN | N-[(2S,3R)-3-AMINO-2-HYDROXY-4- PHENYL-BUTANOYL]-L-PROLYL-L-PROLYL- L-ALANINAMIDE | A | 1N51 | 0.72 | |
TTX | TENTOXIN | B | 1KMH | 0.71 | |
FPA | 1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE | E,I | 4EST | 0.71 | |
KHA | 1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)- 1-METHYLPIPERIDINIUM | H,L,X,Y | 1UWG | 0.74 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZSF | 0.75 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A | 1JLD | 0.75 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B | 1IDA | 0.75 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B | 1IDB | 0.75 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1Z8C | 0.75 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZBG | 0.75 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZPK | 0.75 | |
DFK | D-PHENYLALANYL-N-[(1S)-4-{[(Z)- AMINO(IMINO)METHYL]AMINO}-1-(CHLOROACETYL)BUTYL]- L-PROLINAMIDE | H,L | 3E6P | 0.74 | |
CLD | D-PARA-CHLOROPHENYL-1-ACTEAMIDOBORONIC ACID ALANINE | A | 1AVT | 0.7 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.7 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.7 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.7 | |
CLB | D-PARA-CHLOROPHENYL-1-ACETAMIDOBORONIC ACID ALANINE | A | 1VSB | 0.7 | |
G27 | (3R,4R,5R)-5-(HYDROXYMETHYL)-1- (3-PHENYLPROPYL)PIPERIDINE-3,4- DIOL | A | 2G9R | 0.73 | |
G27 | (3R,4R,5R)-5-(HYDROXYMETHYL)-1- (3-PHENYLPROPYL)PIPERIDINE-3,4- DIOL | A | 2G9U | 0.73 | |
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 | 0.74 | |
ING | D-[(AMINO)CARBONYL]PHENYLALANINE | A,B | 1UF8 | 0.71 | |
ING | D-[(AMINO)CARBONYL]PHENYLALANINE | A,B,D,E | 1HDU | 0.71 | |
78A | N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN- 2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINE | A | 2DCD | 0.7 | |
GB3 | (2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE- 3,4-DIOL | A | 2F1B | 0.74 | |
MY5 | {1-[(3S)-4-{[(1S)-2-(BENZYLAMINO)- 1-METHYL-2-OXOETHYL]AMINO}-3-HYDROXY- 4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID | I | 2CNN | 0.7 | |
GB6 | (3R,4R,5R)-3,4-dihydroxy-5-({[(1R)- 2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidin- 2-one | A | 3DDF | 0.74 | |
SH1 | N-[(2-PHENYLETHYL)SULFONYL]-D-SERYL- N-[(1S)-4-[(DIAMINOMETHYLENE)AMINO]- 1-(HYDROXYMETHYL)BUTYL]-L-ALANINAMIDE | U | 1W14 | 0.7 | |
RL2 | N-[3-CARBOXY-2-HYDROXY-PROPIONYL]- L-HOMOPHENYLALANYL-AMINO-2-METHYLBUTANE | A | 1EWM | 0.72 | |
J54 | (2R)-3-{[(BENZYLAMINO)CARBONYL]AMINO}- 2-HYDROXYPROPANOIC ACID | A | 2V35 | 0.72 | |
NDF | N-(CARBOXYCARBONYL)-D-PHENYLALANINE | A | 1YCI | 0.74 | |
MY3 | [N-(3-BENZYLCARBAMOYL-OXIRANECARBONYL)- HYDRAZINO] - ACETIC ACID | A,I | 2CNL | 0.71 | |
S2D | N-BENZOYL-D-ALANINE | A,B | 2JCI | 0.75 | |
OTG | ORTHO-TOLUOYLGLUCOSAMINE | A | 2YHX | 0.71 | |
PDH | (2S)-2-AMINO-3-PHENYL-1-PROPANOL | A | 1GQ0 | 0.73 | |
EAL | 1-((2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO}PROPANOYL)- L-PROLINE | A | 1UZE | 0.73 | |
PHL | L-PHENYLALANINOL | A,B | 1JOH | 0.73 | |
PHL | L-PHENYLALANINOL | I | 3APR | 0.73 | |
PHL | L-PHENYLALANINOL | A | 1DLZ | 0.73 | |
PHL | L-PHENYLALANINOL | A | 1IH9 | 0.73 | |
PHL | L-PHENYLALANINOL | A | 1OB4 | 0.73 | |
PHL | L-PHENYLALANINOL | I | 2ER6 | 0.73 | |
PHL | L-PHENYLALANINOL | A | 1R9U | 0.73 | |
PHL | L-PHENYLALANINOL | A | 1OB7 | 0.73 | |
PHL | L-PHENYLALANINOL | A,B | 1OB6 | 0.73 | |
PHL | L-PHENYLALANINOL | A,B,C | 1AMT | 0.73 | |
COR | 2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE | A | 9HVP | 0.71 | |
TZT | SOBLIDOTIN | A,B,C,D | 3E22 | 0.71 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B,C,D | 1SN9 | 0.72 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B | 1SNE | 0.72 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B,C,D | 1SNA | 0.72 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B | 1XOF | 0.72 | |
SP9 | N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNT | 0.72 | |
MY4 | (1-{(3S)-3-HYDROXY-4-OXO-4-[(2- PHENYLETHYL)AMINO]BUTANOYL}HYDRAZINO)ACETIC ACID | A | 2CNO | 0.72 | |
FOG | (4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid | I | 1EED | 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 | 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 | |
TA2 | (2R,3S)-3-AMINO-3-PHENYLPROPANE- 1,2-DIOL | A,B | 2IFR | 0.72 | |
APL | N-(1-BENZYL-3,3,3-TRIFLUORO-2,2- DIHYDROXY-PROPYL)-ACETAMIDE | B,C | 1GG6 | 0.79 | |
U15 | METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY- 3-(4-METHYLPHENYL)PROPANOYL]-D- ALANYL-D-LEUCINATE | A | 2GG8 | 0.7 | |
LPR | [N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]- L-LYSYL-L-PROLINE | A,B | 1J36 | 0.73 | |
LPR | [N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]- L-LYSYL-L-PROLINE | A,B | 2C6N | 0.73 | |
LPR | [N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]- L-LYSYL-L-PROLINE | A | 1O86 | 0.73 | |
K7I | L-alanyl-N-[(1S,2R)-1-benzyl-2- hydroxypropyl]-L-alaninamide | A,B | 2QXG | 0.82 | |
C20 | ACETYL-NH-VAL-CYCLOHEXYL-CH2[NCH2CHOH]CH2- BENZYL-VAL-NH-ACETYL | A,B | 1HIH | 0.73 | |
C20 | ACETYL-NH-VAL-CYCLOHEXYL-CH2[NCH2CHOH]CH2- BENZYL-VAL-NH-ACETYL | A,B | 1HII | 0.73 | |
BR4 | 6-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)- HEXANOIC ACID | A | 1KQU | 0.72 | |
ZAE | N-methyl-D-phenylalanine | H,I,R | 1TBZ | 0.71 | |
KEL | N-[(2R)-2-benzyl-4-(hydroxyamino)- 4-oxobutanoyl]-L-alanine | X | 3B7U | 0.7 | |
2SK | (1R,2R,3R,4S,5R)-4-(BENZYLAMINO)- 5-(METHYLTHIO)CYCLOPENTANE-1,2,3- TRIOL | A | 2F7P | 0.76 |