Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03503029
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 |
098 | (3R)-N~2~-(cyclopropylmethyl)-N~1~- hydroxy-3-(3-hydroxybenzyl)-N~4~- [(1S,2R)-2-hydroxy-2,3-dihydro- 1H-inden-1-yl]-L-aspartamide | A,B | 3HY9 | 0.72 | |
3CC | N-[(2R)-5-(aminosulfonyl)-2,3-dihydro- 1H-inden-2-yl]-2-propylpentanamide | A | 2QO8 | 0.76 | |
MZ2 | (2E)-N-[(1S,2R)-1-BENZYL-2-HYDROXY- 3-{(2-THIENYLMETHYL)[(2,4,5-TRIFLUOROPHENYL)SULFONYL]AMINO}PROPYL]- 4,4,4-TRIFLUORO-3-METHYLBUT-2-ENAMIDE | A,B | 2QHZ | 0.74 | |
TI3 | [(2S)-2-SULFANYL-3-PHENYLPROPANOYL]- GLY-(5-PHENYLPROLINE) | A | 1QF2 | 0.7 | |
U16 | METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY- 3-(4-ISOPROPYLPHENYL)PROPANOYL]- D-ALANYL-D-LEUCINATE | A | 2GG9 | 0.72 | |
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 | 0.74 | |
HBH | 2-[(8S,11S)-11-{(1R)-1-HYDROXY- 2-[ISOPENTYL(PHENYLSULFONYL)AMINO]ETHYL}- 6,9-DIOXO-2-OXA-7,10-DIAZABICYCLO[11.2.2]HEPTADECA- 1(15),13,16-TRIEN-8-YL]ACETAMIDE | A,B | 1Z1R | 0.71 | |
VAC | N,N-BIS(2-HYDROXY-1-INDANYL)-2,6- DIPHENYLMETHYL-4-HYDROXY-1,7-HEPTANDIAMIDE | B | 4PHV | 0.78 | |
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 | 0.76 | |
C44 | N-{(1S,2R)-1-benzyl-2-hydroxy-3- [(1S)-1,2,3,4-tetrahydronaphthalen- 1-ylamino]propyl}-3-(1,1-dioxido- 1,2-thiazinan-2-yl)-5-(ethylamino)benzamide | A | 2VIJ | 0.71 | |
G05 | (4aR,6r,7aS)-hexahydro-4aH-cyclopenta[b][1,4]dioxin- 6-yl [(1S,2R)-1-benzyl-2-hydroxy- 3-{[(4-methoxyphenyl)sulfonyl](2- methylpropyl)amino}propyl]carbamate | A,B | 3DK1 | 0.7 | |
HBB | N-{(2R)-2-HYDROXY-2-[(8S,11S)-8- ISOPROPYL-6,9-DIOXO-2-OXA-7,10- DIAZABICYCLO[11.2.2]HEPTADECA-1(15),13,16- TRIEN-11-YL]ETHYL}-N-ISOPENTYLBENZENESULFONAMIDE | A,B | 1Z1H | 0.71 | |
A00 | N-[(5S)-5-{[(4-aminophenyl)sulfonyl](isobutyl)amino}- 6-hydroxyhexyl]-Nalpha-(methoxycarbonyl)- beta-phenyl-L-phenylalaninamide | A,B | 2QMP | 0.73 | |
GRL | (3AS,5R,6AR)-HEXAHYDRO-2H-CYCLOPENTA[B]FURAN- 5-YL (2S,3S)-3-HYDROXY-4-(4-(HYDROXYMETHYL)- N-ISOBUTYLPHENYLSULFONAMIDO)-1- PHENYLBUTAN-2-YLCARBAMATE | A,B | 3EC0 | 0.75 | |
GRL | (3AS,5R,6AR)-HEXAHYDRO-2H-CYCLOPENTA[B]FURAN- 5-YL (2S,3S)-3-HYDROXY-4-(4-(HYDROXYMETHYL)- N-ISOBUTYLPHENYLSULFONAMIDO)-1- PHENYLBUTAN-2-YLCARBAMATE | A,B | 2HB3 | 0.75 | |
GB6 | (3R,4R,5R)-3,4-dihydroxy-5-({[(1R)- 2-hydroxy-1-phenylethyl]amino}methyl)pyrrolidin- 2-one | A | 3DDF | 0.71 | |
478 | {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL- AMINO]-1-BENZYL-2-HYDROXY-PROPYL}- CARBAMIC ACID TETRAHYDRO-FURAN- 3-YL ESTER | B | 1HPV | 0.74 | |
478 | {3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL- AMINO]-1-BENZYL-2-HYDROXY-PROPYL}- CARBAMIC ACID TETRAHYDRO-FURAN- 3-YL ESTER | A,B | 1T7J | 0.74 | |
GB7 | (3R,4R,5R)-3,4-dihydroxy-5-({[(1R)- 2-hydroxy-1-phenylethyl]amino}methyl)- 1-methylpyrrolidin-2-one | A | 3DDG | 0.72 | |
BSI | 2-(BIPHENYL-4-SULFONYL)-1,2,3,4- TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID | A | 1BZS | 0.72 | |
BSI | 2-(BIPHENYL-4-SULFONYL)-1,2,3,4- TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID | A | 1I76 | 0.72 | |
MUW | N-{(5S)-5-[{[4-(AMINOMETHYL)PHENYL]SULFONYL}(ISOBUTYL)AMINO]- 6-HYDROXYHEXYL}-NALPHA-(METHOXYCARBONYL)- BETA-PHENYL-L-PHENYLALANINAMIDE | A,B | 2Q3K | 0.78 | |
SUB | 3-PHENYL-2-{[4-(TOLUENE-4-SULFONYL)- THIOMORPHOLINE-3-CARBONYL]-AMINO}- PROPIONIC ACID ETHYL ESTER | A | 1J4H | 0.73 | |
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 | 0.7 | |
D4N | 1-{[(3R)-3-methyl-4-({4-[(1S)-2,2,2- trifluoro-1-hydroxy-1-methylethyl]phenyl}sulfonyl)piperazin- 1-yl]methyl}cyclopropanecarboxamide | A,B,C,D | 3D4N | 0.7 | |
F83 | (3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)- 1,2,3,4-TETRAHYDROISOQUINOLINE- 7-SULFONAMIDE | A,B | 2OBF | 0.7 | |
F83 | (3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)- 1,2,3,4-TETRAHYDROISOQUINOLINE- 7-SULFONAMIDE | A,B | 2G8N | 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 | 0.71 | |
MZ9 | N-[(1S,2R)-1-BENZYL-2-HYDROXY-3- {[(4-METHOXYPHENYL)SULFONYL][(2S)- 2-METHYLBUTYL]AMINO}PROPYL]-4-OXOHEXANAMIDE | A,B | 2QI7 | 0.74 | |
C3M | N-[(2R,3S)-3-AMINO-2-HYDROXY-4- PHENYLBUTYL]NAPHTHALENE-2-SULFONAMIDE | B,I | 2C8Y | 0.72 | |
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 | 0.73 | |
RYU | (2E,3S)-3-HYDROXY-5'-[(4-HYDROXYPIPERIDIN- 1-YL)SULFONYL]-3-METHYL-1,3-DIHYDRO- 2,3'-BIINDOL-2'(1'H)-ONE | A | 2BHH | 0.72 | |
AO1 | (2S,3R)-3-AMINO-2-HYDROXY-5-(ETHYLSULFANYL)PENTANOYL- ((S)-(-)-(1-NAPHTHYL)ETHYL)AMIDE | A | 1R5G | 0.74 | |
FD1 | N-ALPHA-(2-NAPHTHYLSULFONYL)-N- (3-AMIDINO-L-PHENYLALANINYL)-D- PIPECOLINIC ACID | A | 1K1I | 0.7 | |
G26 | 2-(BENZYLCARBAMOYL-PHENYLACETYLAMINO- METHYL)-5,5-DIMETHYL-THIAZOLIDINE- 4-CARBOXYLIC ACID (HYDROXYMETHYL- 2-PHENYLETHYL)AMIDE | A,B | 1HTF | 0.72 | |
MUU | N-[(1S,2R)-1-BENZYL-3-{(CYCLOPROPYLMETHYL)[(3- METHOXYPHENYL)SULFONYL]AMINO}-2- HYDROXYPROPYL]-N'-METHYLSUCCINAMIDE | A,B | 2PSU | 0.73 | |
TST | 4-METHYL-2-{[4-(TOLUENE-4-SULFONYL)- THIOMORPHOLINE-3-CARBONYL]-AMINO}- PENTANOIC ACID | A | 1J4I | 0.72 | |
BM9 | [S-(R*,R*)]-1-(AMINOIMINOMETHYL)- N-[[1-[N-[(2-NAPHTHALENYLSULFONYL)- L-SERYL]-3-PYRROLIDINYL]METHYL]- 3-PIPERIDENECARBOXAMIDE | H | 1BMN | 0.73 | |
HYB | [2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)- 3-NAPHTHALEN-1-YL-PROPIONYL-VALINYL]- PHENYLALANINOL | A | 1FMB | 0.71 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A,B | 2ZOF | 0.71 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 2HPT | 0.71 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 1TXR | 0.71 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 1XRY | 0.71 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 2EK9 | 0.71 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 1HS6 | 0.71 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 2DQM | 0.71 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 3EBH | 0.71 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A | 1GW6 | 0.71 | |
BES | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)- 4-METHYL-PENTANOIC ACID | A,B | 2ZOG | 0.71 | |
MZ1 | N~2~-ACETYL-N-[(1S,2R)-1-BENZYL- 2-HYDROXY-3-{(2-THIENYLMETHYL)[(2,4,5- TRIFLUOROPHENYL)SULFONYL]AMINO}PROPYL]- L-ALANINAMIDE | A,B | 2QHY | 0.75 | |
U15 | METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY- 3-(4-METHYLPHENYL)PROPANOYL]-D- ALANYL-D-LEUCINATE | A | 2GG8 | 0.72 | |
NFT | N-(2-AMINOETHYL)-N~2~-{(1S)-1-[4'- (AMINOSULFONYL)BIPHENYL-4-YL]-2,2,2- TRIFLUOROETHYL}-L-LEUCINAMIDE | A | 1VSN | 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 | 0.71 | |
SC7 | N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)- 2-[(2R,4S)-4-ETHOXYPIPERIDIN-2- YL]-2-HYDROXYETHYL}-5-METHYL-N,N- DIPROPYLISOPHTHALAMIDE | A,B | 2QP8 | 0.72 | |
ANH | METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL- 3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE | T | 1V2P | 0.71 | |
ANH | METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL- 3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE | T | 1V2O | 0.71 | |
ANH | METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL- 3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE | T | 1V2Q | 0.71 | |
ANH | METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL- 3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE | T | 1V2R | 0.71 | |
ANH | METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL- 3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE | T | 1V2W | 0.71 | |
ANH | METHYL N-[(4-METHYLPHENYL)SULFONYL]GLYCYL- 3-[AMINO(IMINO)METHYL]-D-PHENYLALANINATE | T | 1V2T | 0.71 | |
VG3 | N-[(1S,2R)-1-benzyl-3-{[(1S)-2- (cyclohexylamino)-1-methyl-2-oxoethyl]amino}- 2-hydroxypropyl]-3-(pentylsulfonyl)benzamide | A | 2VIY | 0.75 | |
TP3 | 4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE- SULFONYL-D-PROLINE | A,B | 1F4F | 0.71 | |
A1A | 6-AMINO HEXANOIC ACID | A | 2BQV | 0.75 | |
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 | 0.72 | |
EG3 | PHENYLALANYLAMINODI(ETHYLOXY)ETHYL BENZENESULFONAMIDEAMINOCARBONYLBENZENESULFONAMIDE | A | 1CNY | 0.72 |