Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02616996
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 |
T10 | [1-(1-BENZYL-3-HYDROXY-2-OXO-PROPYLCARBAMOYL)- 2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER | A | 1ME4 | 0.71 |  |
BE4 | (2R,3R,4R,5R)-2,5-BIS[(2,4-DIFLUOROBENZYL)OXY]- 3,4-DIHYDROXY-N,N'-BIS[(1R,2S)- 2-HYDROXY-2,3-DIHYDRO-1H-INDEN- 1-YL]HEXANEDIAMIDE | A | 1W5W | 0.71 | |
A1A | 6-AMINO HEXANOIC ACID | A | 2BQV | 0.79 | |
BE6 | (2R,3R,4R,5R)-2,5-BIS[(2,5-DIFLUOROBENZYL)OXY]- 3,4-DIHYDROXY-N,N'-BIS[(1S,2R)- 2-HYDROXY-2,3-DIHYDRO-1H-INDEN- 1-YL]HEXANEDIAMIDE | A | 1W5Y | 0.71 | |
BEB | N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI- [1-AMINO-INDAN-2-OL] | B | 1EBY | 0.73 | |
HV1 | METHYL [(1S)-1-({2-[(4R)-4-BENZYL- 4-HYDROXY-5-{[(1S,2R)-2-HYDROXY- 2,3-DIHYDRO-1H-INDEN-1-YL]AMINO}- 5-OXOPENTANOYL]-2-(4-BROMOBENZYL)HYDRAZINO}CARBONYL)- 2,2-DIMETHYLPROPYL]CARBAMATE | B | 2UY0 | 0.72 | |
WH6 | 2-[(1R)-2-carboxy-1-(naphthalen- 1-ylmethyl)ethyl]-1,3-dioxo-2,3- dihydro-1H-isoindole-5-carboxylic acid | A,B | 2R9X | 0.71 | |
U16 | METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY- 3-(4-ISOPROPYLPHENYL)PROPANOYL]- D-ALANYL-D-LEUCINATE | A | 2GG9 | 0.72 | |
BEC | [5-(2-HYDROXY-INDAN-1-YLCARBAMOYL)- 3,4-DIHYDROXY-2,5-[DIBENZYL-OXY]- PENTANOYL]-VALINYL-AMIDO-METHANE | B | 1EBZ | 0.71 | |
KAF | N-{(5S)-4,4-dihydroxy-6-phenyl- 5-[(phenylcarbonyl)amino]hexanoyl}- L-phenylalanine | A | 3BKK | 0.71 | |
568 | N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI- [1-AMINO-INDAN-2-OL] | B | 1WBK | 0.71 | |
MRT | (5R,9S,12S,15S,18S,21S)-21-benzyl- 12,18-bis(carboxymethyl)-15-cyclohexyl- 1-(9H-fluoren-9-yl)-4-methyl-9- (2-methylpropyl)-3,6,10,13,16,19- hexaoxo-5-phenyl-2-oxa-4,8,11,14,17,20- hexaazadocosan-22-oic acid | A | 2ZLG | 0.84 | |
BLL | (2R,3R,4R,5R)-3,4-DIHYDROXY-N,N'- BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO- 1H-INDEN-1-YL]-2,5-BIS(2-PHENYLETHYL)HEXANEDIAMIDE | B | 1WBM | 0.81 | |
1AH | 3-AMINO-3-BENZYL-[4.3.0]BICYCLO- 1,6-DIAZANONAN-2-ONE | B | 2CEJ | 0.73 | |
MOQ | MOTUPORIN | A | 2BCD | 0.72 | |
PI8 | N-13-[(10S,13S)-9,12-DIOXO-10-(2- BUTYL)-2-OXA-8,11-DIAZABICYCLO [13.2.2] NONADECA- 15,17,18-TRIENE] (2R)-BENZYL-(4S)- HYDROXY-5-AMINOPENTANOIC (1R)-HYDROXY- (2S)-INDANEAMIDE | A,B | 1D4K | 0.7 | |
LGZ | CARBAMIC ACID 1-{5-BENZYL-5-[2- HYDROXY-4-PHENYL-3-(TETRAHYDRO- FURAN- 3-YLOXYCARBONYLAMINO)-BUTYL]- 4-OXO-4,5-DIHYDRO-1H-PYRROL-3-YL}- INDAN-2-YL ESTER | A | 1NPW | 0.74 | |
HOP | (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)- 5-PHENYL-1-CYCLOHEXANOL | H,L | 1D6V | 0.73 | |
| HOP | (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)- 5-PHENYL-1-CYCLOHEXANOL | A,B,H,L | 1AXS | 0.73 | |
821 | A | 1O43 | 0.73 | | |
314 | N'-[(1S,2R)-2-[(2R,4S)-4-benzylpiperidin- 2-yl]-1-(3,5-difluorobenzyl)-2- hydroxyethyl]-5-methyl-N,N-dipropylbenzene- 1,3-dicarboxamide | A,B | 3CIB | 0.71 | |
853 | 5-[2-ACETYLAMINO-2-(1-BIPHENYL- 4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)- ETHYL]-2-CARBOXYMETHYL-BENZOIC ACID | A | 1O48 | 0.71 | |
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 | |
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 | |
U15 | METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY- 3-(4-METHYLPHENYL)PROPANOYL]-D- ALANYL-D-LEUCINATE | A | 2GG8 | 0.71 | |
DKT | 4-[2-(3-BENZYLOXYCARBONYLAMINO- 4-CYCLOHEXYL-1-HYDROXY-2-OXO-BUTYLAMINO)- 5-GUANIDINO-PENTANOYLAMINO]-4-(1- CARBOXY-2-CYCLOHEXYL-ETHYLCARBAMOYL)- BUTYRIC ACID | A,B,C,D,E,F | 1N6F | 0.7 | |
FNH | (2R)-({N-[(3S)-3-({[(3S,6S)-6-CYCLOHEXYL- 5,8-DIOXO-4,7-DIAZABICYCLO[14.3.1]ICOSA- 1(20),16,18-TRIEN-3-YL]CARBONYL}AMINO)- 2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID | A,C | 2A4Q | 0.74 | |
BE3 | N,N-[2,5-O-DI-3-FLUORO-BENZYL-GLUCARYL]- DI-[1-AMINO-INDAN-2-OL] | A | 1W5V | 0.72 | |
BEG | 2,5-DIBENZYLOXY-3-HYDROXY-HEXANEDIOIC ACID BIS- [(2-HYDROXY-INDAN-1-YL)-AMIDE] | A | 1D4I | 0.74 | |
HI1 | METHYL [(1S)-1-({2-[(4R)-4-BENZYL- 4-HYDROXY-5-{[(1S,2R)-2-HYDROXY- 2,3-DIHYDRO-1H-INDEN-1-YL]AMINO}- 5-OXOPENTYL]-2-(4-BROMOBENZYL)HYDRAZINO}CARBONYL)- 2,2-DIMETHYLPROPYL]CARBAMATE | A | 2UXZ | 0.72 | |
BED | N,N-[2,5-O-DI-2-FLUORO-BENZYL-GLUCARYL]- DI-[1-AMINO-INDAN-2-OL] | A | 1EC0 | 0.72 | |
L27 | {1-BENZYL-3-[2-BENZYL-3-OXO-4-(1- OXO-1,2,3,4-TETRAHYDRO- ISOQUINOLIN- 4-YL)-2,3-DIHYDRO-1H-PYRROL-2-YL]- 2- HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO- FURAN-3-YL ESTER | A | 1NPV | 0.71 | |
HH1 | (3S)-TETRAHYDROFURAN-3-YL (1R)- 3-{(2R)-4-[(1S,3S)-3-(2-AMINO-2- OXOETHYL)-2,3-DIHYDRO-1H-INDEN- 1-YL]-2-BENZYL-3-OXO-2,3-DIHYDRO- 1H-PYRROL-2-YL}-1-BENZYL-2-HYDROXYPROPYLCARBAMATE | A | 2BBB | 0.73 | |
ARQ | BENZOYLAMINO-BENZYL-METHYL-[2-HYDROXY- 3-[1-METHYL-ETHYL-OXY-N-FORMAMIDYL]- 4-PHENYL-BUTYL]-AMMONIUM | A | 3AID | 0.71 | |
L04 | A | 1HFS | 0.71 | | |
S1S | 2-(4-((9S,10S,14S,Z)-18-(2-AMINO- 2-OXOETHYL)-9-(CARBOXYMETHYL)-14- (NAPHTHALEN-1-YLMETHYL)-8,17,20- TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS- 11-EN-10-YL)PHENYL)MALONIC ACID | A,B,C,D | 2AOB | 0.73 | |
| S1S | 2-(4-((9S,10S,14S,Z)-18-(2-AMINO- 2-OXOETHYL)-9-(CARBOXYMETHYL)-14- (NAPHTHALEN-1-YLMETHYL)-8,17,20- TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS- 11-EN-10-YL)PHENYL)MALONIC ACID | A,B | 2AOA | 0.73 | |
VAC | N,N-BIS(2-HYDROXY-1-INDANYL)-2,6- DIPHENYLMETHYL-4-HYDROXY-1,7-HEPTANDIAMIDE | B | 4PHV | 0.83 | |
BNH | [(N-{3-[(N-{CYCLOHEXYL[(ISOBUTOXYCARBONYL)AMINO]ACETYL}- 3-CYCLOPROPYLALANYL)AMINO]-4-CYCLOPROPYL- 2-OXOBUTANOYL}GLYCYL)AMINO](PHENYL)ACETIC ACID | A,C | 2A4R | 0.74 | |
099 | (2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)- N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro- 1H-inden-1-yl]butanediamide | A,B | 3HYG | 0.71 | |
BEH | 2,5-DIBENZYLOXY-3,4-DIHYDROXY-HEXANEDIOIC ACID BENZYLAMIDE (2- HYDROXY-INDAN-1-YL)-AMIDE | B | 1D4H | 0.75 | |
BE5 | (2R,3R,4R,5R)-2,5-BIS[(2,3-DIFLUOROBENZYL)OXY]- 3,4-DIHYDROXY-N,N'-BIS[(1S,2R)- 2-HYDROXY-2,3-DIHYDRO-1H-INDEN- 1-YL]HEXANEDIAMIDE | A | 1W5X | 0.71 | |
AG6 | N-[(benzyloxy)carbonyl]-L-alpha- glutamyl-N-[(1S)-4-oxo-4-phenyl- 1-propylbut-2-en-1-yl]-L-phenylalaninamide | A | 3FRZ | 0.73 | |
197 | 4-[2-ACETYLAMINO-2-(1-BIPHENYL- 4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)- ETHYL]-2-FORMYL-BENZOIC ACID | A | 1O4A | 0.7 | |
3NH | (3S)-TETRAHYDROFURAN-3-YL (1R,2S)- 3-[4-((1R)-2-{[(S)-AMINO(HYDROXY)METHYL]OXY}- 2,3-DIHYDRO-1H-INDEN-1-YL)-2-BENZYL- 3-OXOPYRROLIDIN-2-YL]-1-BENZYL- 2-HYDROXYPROPYLCARBAMATE | A | 1NPA | 0.76 | |
LGG | N-ACETYL-L-ALPHA-GLUTAMYL-L-PHENYLALANYL- L-GLUTAMINYL-N-[(1S)-4-AMINO-1- (2-CARBOXYETHYL)-4-OXOBUTYL]-L- LEUCINAMIDE | A,B | 2IPH | 0.7 | |
3TL | BENZYL (2S,5S,8S,9R,10R,11S,14S,17S)- 8,11-DIBENZYL-9,10-DIHYDROXY-5,14- DIISOPROPYL-3,6,13,16-TETRAOXO- 4,7,12,15-TETRAAZAOCTADECANE-2,17- DIYLDICARBAMATE | A,B | 2P3C | 0.73 | |
| 3TL | BENZYL (2S,5S,8S,9R,10R,11S,14S,17S)- 8,11-DIBENZYL-9,10-DIHYDROXY-5,14- DIISOPROPYL-3,6,13,16-TETRAOXO- 4,7,12,15-TETRAAZAOCTADECANE-2,17- DIYLDICARBAMATE | A | 2P3D | 0.73 | |
| 3TL | BENZYL (2S,5S,8S,9R,10R,11S,14S,17S)- 8,11-DIBENZYL-9,10-DIHYDROXY-5,14- DIISOPROPYL-3,6,13,16-TETRAOXO- 4,7,12,15-TETRAAZAOCTADECANE-2,17- DIYLDICARBAMATE | A,B | 2P3B | 0.73 | |
| 3TL | BENZYL (2S,5S,8S,9R,10R,11S,14S,17S)- 8,11-DIBENZYL-9,10-DIHYDROXY-5,14- DIISOPROPYL-3,6,13,16-TETRAOXO- 4,7,12,15-TETRAAZAOCTADECANE-2,17- DIYLDICARBAMATE | A,B | 2P3A | 0.73 | |
AKC | 2-ETHOXYETHYL (1S,2S)-3-{(2S)-4- [(3AS,8S,8AR)-2-OXO-3,3A,8,8A-TETRAHYDRO- 2H-INDENO[1,2-D][1,3]OXAZOL-8-YL]- 2-BENZYL-3-OXO-2,3-DIHYDRO-1H-PYRROL- 2-YL}-1-BENZYL-2-HYDROXYPROPYLCARBAMATE | A | 2BB9 | 0.75 | |