Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00529509
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 | |
CT1 | (1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)- 1-FORMYLPENTYL]CARBAMATE | A | 2AUX | 0.73 | |
BR4 | 6-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)- HEXANOIC ACID | A | 1KQU | 0.8 | |
C47 | METHYL (3R)-1-[(5S,6S,8R)-5-AMINO- 9-BUTYLAMINO-6-HYDROXY-3,3,8-TRIMETHYL- 9-OXO-NONANOYL]-3,4-DIHYDRO-2H- QUINOLINE-3-CARBOXYLATE | C,O | 2V16 | 0.71 | |
DAI | (3AS,9AS)-2-PENTYL-4-HYDROXYMETHYL- 3A,4,9,9A-TETRAHYDRO-4,9[1',2']- BENZENO-1H-BENZ[F]ISOINDOLE-1,3(2H)- DIONE | A,B,C,D | 1YLS | 0.71 | |
DAI | (3AS,9AS)-2-PENTYL-4-HYDROXYMETHYL- 3A,4,9,9A-TETRAHYDRO-4,9[1',2']- BENZENO-1H-BENZ[F]ISOINDOLE-1,3(2H)- DIONE | A,B,C,D | 1YKV | 0.71 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A,B | 2ZOF | 0.74 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 2HPT | 0.74 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 1TXR | 0.74 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 1XRY | 0.74 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 2EK9 | 0.74 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 1HS6 | 0.74 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 2DQM | 0.74 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 3EBH | 0.74 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 1GW6 | 0.74 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A,B | 2ZOG | 0.74 | |
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 | |
CY9 | (3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)- 3-benzyl-6,12-dihydroxy-4,10,12- trimethyl-5-methylidene-1,11-dioxo- 2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro- 1H-cycloundeca[d]isoindol-15-yl acetate | A | 3EKU | 0.77 | |
CY9 | (3S,3aR,4S,6S,6aR,7E,10S,12R,13E,15R,15aR)- 3-benzyl-6,12-dihydroxy-4,10,12- trimethyl-5-methylidene-1,11-dioxo- 2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro- 1H-cycloundeca[d]isoindol-15-yl acetate | A | 3EKS | 0.77 | |
DLQ | DIHYDROMICROCYSTIN-LA | A | 2BDX | 0.72 | |
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 | |
HAL | N-{[2-({[1-(4-CARBOXYBUTANOYL)AMINO]- 2-PHENYLETHYL}-HYDROXYPHOSPHINYL)OXY]ACETYL}- 2-PHENYLETHYLAMINE | A,B,H | 1MJJ | 0.72 | |
HAL | N-{[2-({[1-(4-CARBOXYBUTANOYL)AMINO]- 2-PHENYLETHYL}-HYDROXYPHOSPHINYL)OXY]ACETYL}- 2-PHENYLETHYLAMINE | B,H | 1MH5 | 0.72 | |
HAL | N-{[2-({[1-(4-CARBOXYBUTANOYL)AMINO]- 2-PHENYLETHYL}-HYDROXYPHOSPHINYL)OXY]ACETYL}- 2-PHENYLETHYLAMINE | H | 1MJ7 | 0.72 | |
BJP | (1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID | A | 1ERO | 0.72 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A,B,M,N | 1FJM | 0.71 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVA | 0.71 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1LCM | 0.71 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A,B,C,D,E,F, G,H | 2NYM | 0.71 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | C,I | 2IE3 | 0.71 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | C,F,X,Y | 2NPP | 0.71 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVC | 0.71 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | C,F,G,H | 3DW8 | 0.71 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A,B,C,D,E,F, G,H | 2NYL | 0.71 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVD | 0.71 | |
ADD | 2,6,8-TRIMETHYL-3-AMINO-9-BENZYL- 9-METHOXYNONANOIC ACID | A | 1EVB | 0.71 | |
F3G | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2HBY | 0.72 | |
F3G | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2H4Y | 0.72 | |
F3G | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2HBR | 0.72 | |
F3G | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2H4W | 0.72 | |
F3G | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2H48 | 0.72 | |
F3G | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2H54 | 0.72 | |
F3G | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2H51 | 0.72 | |
F3G | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2HBZ | 0.72 | |
F3G | 3-[2-(2-BENZYLOXYCARBONYLAMINO- 3-METHYL-BUTYRYLAMINO)-PROPIONYLAMINO]- 4-OXO-PENTANOIC ACID | A | 2HBQ | 0.72 | |
HOP | (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)- 5-PHENYL-1-CYCLOHEXANOL | H,L | 1D6V | 0.75 | |
HOP | (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)- 5-PHENYL-1-CYCLOHEXANOL | A,B,H,L | 1AXS | 0.75 | |
R99 | N-[3-CARBOXY-2-HYDROXY-PROPIONYL]- D-HOMOPHENYLALANYL-AMINO-2-METHYLBUTANE | A | 1EWL | 0.74 | |
MMI | N-[(4S,5S,7R)-8-({(S)-1-[(BENZYLAMINO)OXOMETHYL]- 2-METHYLPROPYL}AMINO)-5-HYDROXY- 2,7-DIMETHYL-8-OXO-OCT-4-YL]-(4S,7S)- 4-ISOPROPYL-2,5,9-TRIOXO-1-OXA- 3,6,10-TRIAZACYCLOHEXADECANE-7- CARBOXAMIDE | D | 1XS7 | 0.71 | |
MY4 | (1-{(3S)-3-HYDROXY-4-OXO-4-[(2- PHENYLETHYL)AMINO]BUTANOYL}HYDRAZINO)ACETIC ACID | A | 2CNO | 0.71 | |
BJI | 1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID | A | 1ERM | 0.71 | |
FOG | (4S,5S)-5-amino-4-hydroxy-6-phenylhexanoic acid | I | 1EED | 0.7 | |
U15 | METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY- 3-(4-METHYLPHENYL)PROPANOYL]-D- ALANYL-D-LEUCINATE | A | 2GG8 | 0.71 | |
K7I | L-alanyl-N-[(1S,2R)-1-benzyl-2- hydroxypropyl]-L-alaninamide | A,B | 2QXG | 0.74 | |
APL | N-(1-BENZYL-3,3,3-TRIFLUORO-2,2- DIHYDROXY-PROPYL)-ACETAMIDE | B,C | 1GG6 | 0.72 | |
ZAE | N-methyl-D-phenylalanine | H,I,R | 1TBZ | 0.7 | |
LGG | N-ACETYL-L-ALPHA-GLUTAMYL-L-PHENYLALANYL- L-GLUTAMINYL-N-[(1S)-4-AMINO-1- (2-CARBOXYETHYL)-4-OXOBUTYL]-L- LEUCINAMIDE | A,B | 2IPH | 0.74 | |
PME | N-L-ALPHA-ASPARTYL L-PHENYLALANINE 1- METHYL ESTER | H,L | 1A8J | 0.77 | |
MFD | (2S,3S,8S,9S)-3-AMINO-9-METHOXY- 2,6,8-TRIMETHYL-10-PHENYLDECA-4,6- DIENOIC ACID | A | 1AY3 | 0.72 | |
MEA | N-METHYLPHENYLALANINE | A | 2PIL | 0.7 | |
MEA | N-METHYLPHENYLALANINE | A,B,C,D | 1H0I | 0.7 | |
MEA | N-METHYLPHENYLALANINE | A,B,I | 1DOJ | 0.7 | |
002 | N-[(2R)-2-BENZYL-4-(HYDROXYAMINO)- 4-OXOBUTANOYL]-L-ISOLEUCYL-L-LEUCINE | A,B | 2FV9 | 0.73 | |
MOQ | MOTUPORIN | A | 2BCD | 0.76 | |
INT | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE | A | 3TLH | 0.7 | |
INT | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE | A | 1B11 | 0.7 | |
INT | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE | A | 6FIV | 0.7 | |
INT | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE | A | 5FIV | 0.7 | |
INT | [[PHENYLMETHYLOXY-CARBONYL]-ALANINYL]- VALINYL-[PHENYL-1-HYDROXYPROP-2- YL]-AMINE | A | 2HAH | 0.7 | |
C20 | ACETYL-NH-VAL-CYCLOHEXYL-CH2[NCH2CHOH]CH2- BENZYL-VAL-NH-ACETYL | A,B | 1HIH | 0.7 | |
C20 | ACETYL-NH-VAL-CYCLOHEXYL-CH2[NCH2CHOH]CH2- BENZYL-VAL-NH-ACETYL | A,B | 1HII | 0.7 | |
SBL | L-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINE | A | 1AV7 | 0.73 | |
KEL | N-[(2R)-2-benzyl-4-(hydroxyamino)- 4-oxobutanoyl]-L-alanine | X | 3B7U | 0.73 | |
U16 | METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY- 3-(4-ISOPROPYLPHENYL)PROPANOYL]- D-ALANYL-D-LEUCINATE | A | 2GG9 | 0.71 | |
MX4 | {1-[4-(BENZYLOXY)-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID | I | 2C2M | 0.71 | |
HPI | N-(1-CARBOXY-3-PHENYLPROPYL)PHENYLALANYL- ALPHA-ASPARAGINE | A | 1U4G | 0.76 | |
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 | |
ZYZ | (4-{(2S)-2-[(tert-butoxycarbonyl)amino]- 3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid | A | 3D9C | 0.75 | |
BO9 | N1-[(1R)-1-(DIHYDROXYBORYL)ETHYL]- N2-[(TERT-BUTOXYCARBONYL)-D-GAMMA- GLUTAMYL]-N6-[(BENZYLOXY)CARBONYL- L-LYSINAMIDE | A | 1Z6F | 0.72 | |
NPG | N-SUCCINYL PHENYLGLYCINE | A,B,C,D | 1SJD | 0.73 | |
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 | 0.76 | |
PSI | 2-(2-{5-[2-(2-AMINO-PROPIONYLAMINO)- PROPIONYLAMINO]-4-HYDROXY-6-PHENYL- HEXANOYLAMINO}-3-METHYL-BUTYRYLAMINO)- 3-METHYL-BUTYRIC ACID METHYL ESTER | B | 1AAQ | 0.76 | |
K7J | N-(3-carboxypropanoyl)-L-alanyl- L-alanyl-N-[(1S,2R)-1-benzyl-2- hydroxypropyl]-L-prolinamide | A | 2QXI | 0.76 | |
K7J | N-(3-carboxypropanoyl)-L-alanyl- L-alanyl-N-[(1S,2R)-1-benzyl-2- hydroxypropyl]-L-prolinamide | A | 2QXH | 0.76 | |
K7J | N-(3-carboxypropanoyl)-L-alanyl- L-alanyl-N-[(1S,2R)-1-benzyl-2- hydroxypropyl]-L-prolinamide | A | 2QXJ | 0.76 | |
WR1 | NALPHA-[(BENZYLOXY)CARBONYL]-N- [(1R)-4-HYDROXY-1-METHYL-2-OXOBUTYL]- L-PHENYLALANINAMIDE | A,B | 2OP9 | 0.7 | |
ZAH | N-[(BENZYLOXY)CARBONYL]-L-ALANYL- L-PROLINE | A,B | 2BKL | 0.71 | |
NDF | N-(CARBOXYCARBONYL)-D-PHENYLALANINE | A | 1YCI | 0.73 | |
SBX | 1-CYCLOHEXYL-3-PHENYL-1-PROPYL- 1-(3,3-DIMETHYL-1,2-DIOXYPENTYL)- 2-PIPERIDINE CARBOXYLATE | A | 1FKH | 0.74 | |
CT2 | 1-(PHENYLMETHYL)CYCLOPENTYL[(1S)- 1-FORMYLPENTYL]CARBAMATE | A | 2AUZ | 0.73 | |
SBD | D-NAPHTHYL-1-ACETAMIDO BORONIC ACID ALANINE | A | 3VSB | 0.73 | |
RL2 | N-[3-CARBOXY-2-HYDROXY-PROPIONYL]- L-HOMOPHENYLALANYL-AMINO-2-METHYLBUTANE | A | 1EWM | 0.74 |