Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00607700
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 |
4BQ | (2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acid | A | 3CHQ | 0.72 | |
U04 | ({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN- 3-YL)-PROPYL]-PHENYLCARBAMOYL}- METHYL)-CARBAMIC ACID TERT-BUTYL ESTER | A | 4UPJ | 0.72 | |
194 | 4-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACID | A | 1Z6P | 0.73 | |
515 | 3-({5-[(N-ACETYL-3-{4-[(CARBOXYCARBONYL)(2- CARBOXYPHENYL)AMINO]-1-NAPHTHYL}- L-ALANYL)AMINO]PENTYL}OXY)-2-NAPHTHOIC ACID | A | 1NNY | 0.75 | |
4BS | 4-amino-N-[4-(benzyloxy)phenyl]butanamide | A | 3CHR | 0.75 | |
241 | (2S)-2-(3-{[1-(4-METHOXYBENZOYL)- 2-METHYL-5-(TRIFLUOROMETHOXY)-1H- INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID | A,B | 2Q5P | 0.71 | |
D56 | 4-(2-aminoethoxy)-N-(3-chloro-2- ethoxy-5-piperidin-1-ylphenyl)- 3,5-dimethylbenzamide | A | 2VIW | 0.73 | |
4BG | N-[4-(benzyloxy)phenyl]glycinamide | A | 3CHO | 0.72 | |
XNI | (11S)-10-acetyl-11-[4-(benzyloxy)- 3-chlorophenyl]-3,3-dimethyl-2,3,4,5,10,11- hexahydro-1H-dibenzo[b,e][1,4]diazepin- 1-one | A,B | 3CSO | 0.71 | |
R2C | 5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACID | A | 2PRL | 0.75 | |
240 | (2S)-2-(2-{[1-(4-METHOXYBENZOYL)- 2-METHYL-5-(TRIFLUOROMETHOXY)-1H- INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID | A,B | 2Q59 | 0.7 | |
413 | (S)-[(R)-2-(4-BENZYLOXY-3-METHOXY- PHENYL)-2-(4-CARBAMIMIDOYL-PHENYLAMINO)- ACETYLAMINO]-PHENYL-ACETIC ACID | H,L | 1W7X | 0.7 | |
413 | (S)-[(R)-2-(4-BENZYLOXY-3-METHOXY- PHENYL)-2-(4-CARBAMIMIDOYL-PHENYLAMINO)- ACETYLAMINO]-PHENYL-ACETIC ACID | H | 1W8B | 0.7 | |
A80 | N-(5,5,8,8-TETRAMETHYL-5,8-DIHYDRO- NAPHTHALEN-2-YL)-TEREPHTHALAMIC ACID | A | 2CBR | 0.71 | |
380 | (2R)-2-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO)- N-BENZYL-2-(3,4-DIMETHOXYPHENYL)ACETAMIDE | H,L | 1W2K | 0.72 | |
195 | 4-{2,4-BIS[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACID | A | 1Z6Q | 0.72 | |
CS9 | N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)- 2-HYDROXY-2-[(2R,4R)-4-PHENOXYPYRROLIDIN- 2-YL]ETHYL}-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE | A,B | 2QMF | 0.7 | |
968 | 2-[(7-HYDROXY-NAPHTHALEN-1-YL)- OXALYL-AMINO]-BENZOIC ACID | A | 1ONZ | 0.7 | |
394 | R-3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8- TETRAMETHYL-5,6,7,8,-TETRAHYDRO- NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID | A | 1EXA | 0.71 | |
IC1 | 3-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]- INDOLIN-2-ONE | A,B | 1EH4 | 0.77 | |
L05 | 1-BENZYL-3-(4-METHOXYPHENYLAMINO)- 4-PHENYLPYRROLE-2,5-DIONE | A,B,C,D,E,F, G,H | 2ACL | 0.76 | |
CNO | 2-{4-[(3{2-[4-(1-CARBOXY-1-METHYL- ETHOXY)-PHENYL]-ACETYLAMINO}-PHENYLCARBAMOYL)- METHYL]-PHENOXY}-2-METHYL-PROPIONIC ACID | A,B,C,D | 1K0Y | 0.74 | |
RHO | TETRAMETHYLRHODAMINE-5-MALEIMIDE | A | 1J6Z | 0.75 | |
RHO | TETRAMETHYLRHODAMINE-5-MALEIMIDE | A | 1NWK | 0.75 | |
E20 | 1-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON- 2-YL)METHYL]PIPERIDINE | A | 1EVE | 0.7 | |
323 | 2-[3,6-bis(dimethylamino)xanthen- 9-yl]-5-methanoyl-benzoate | A,P,Q | 3D1F | 0.73 | |
R36 | 4-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)- ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL- 5-PHENYL-PENTYL}-BENZAMIDE | A | 1LEE | 0.75 | |
757 | A,B,C | 3DM6 | 0.7 | ||
NBQ | 2-HYDROXY-5-({1-[(2-NAPHTHYLOXY)METHYL]- 3-OXOPROP-1-ENYL}AMINO)TYROSINE | A | 1SII | 0.72 | |
4BU | (2S)-2-amino-5-[[4-[(2S)-2-hydroxy- 2-phenyl-ethoxy]phenyl]amino]-5- oxo-pentanoic acid | A | 3CHS | 0.71 | |
L1R | 4-(2-AMINOETHOXY)-3,5-DICHLORO- N-[3-(1-METHYLETHOXY)PHENYL]BENZAMIDE | A | 2VIP | 0.76 | |
BN4 | 4-[4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)- 2,3-DIMETHYLPHENOXY]BUTANOIC ACID | A | 1WV0 | 0.71 | |
79Z | 5-cyclopropyl-2-(4-fluorophenyl)- 6-[(2-hydroxyethyl)(methylsulfonyl)amino]- N-methyl-1-benzofuran-3-carboxamide | A | 3FQL | 0.7 | |
79Z | 5-cyclopropyl-2-(4-fluorophenyl)- 6-[(2-hydroxyethyl)(methylsulfonyl)amino]- N-methyl-1-benzofuran-3-carboxamide | A,B | 3FQK | 0.7 | |
C00 | 2-(4-hydroxybiphenyl-3-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione | A | 3BYX | 0.72 | |
C00 | 2-(4-hydroxybiphenyl-3-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione | A | 3BZ0 | 0.72 | |
RQ3 | 2-{4-[(3,5-DIMETHYLANILINO)-CARBONYL- METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID | A,B,C,D | 1G9V | 0.77 | |
DPA | A,B | 1PIK | 0.71 | ||
ZY3 | N-{(1S,2R)-1-BENZYL-2-HYDROXY-3- [(3-METHOXYBENZYL)AMINO]PROPYL}- 6-(ETHYLAMINO)-1-METHYL-1,3,4,5- TETRAHYDRO-2,1-BENZOTHIAZEPINE- 8-CARBOXAMIDE 2,2-DIOXIDE | A | 2WF3 | 0.71 | |
5CN | 5-CYANO-FURAN-2-CARBOXYLIC ACID [5- HYDROXYMETHYL-2-(4-METHYL-PIPERIDIN- 1-YL)-PHENYL]-AMIDE | A | 2I1M | 0.71 | |
5CN | 5-CYANO-FURAN-2-CARBOXYLIC ACID [5- HYDROXYMETHYL-2-(4-METHYL-PIPERIDIN- 1-YL)-PHENYL]-AMIDE | A | 2I0Y | 0.71 | |
VG2 | 4-(2-aminoethoxy)-N-(3-chloro-5- piperidin-1-ylphenyl)-3,5-dimethylbenzamide | A | 2VIV | 0.77 | |
6CA | A | 2FLM | 0.78 | ||
3FT | A | 2BXV | 0.73 | ||
GFA | 2-[4-chloro-2-(phenylcarbonyl)phenoxy]- N-phenylacetamide | A | 3DLE | 0.76 | |
RHQ | RHODAMINE 6G | A,B,D,E | 1JUS | 0.78 | |
RHQ | RHODAMINE 6G | A,B,D,E | 3BR5 | 0.78 | |
RHQ | RHODAMINE 6G | A,D,E | 3BR6 | 0.78 | |
RHQ | RHODAMINE 6G | A,B | 3D6Z | 0.78 | |
RHQ | RHODAMINE 6G | A | 1OY8 | 0.78 | |
RHQ | RHODAMINE 6G | A | 1T9V | 0.78 | |
DCH | 3-(7-DIAMINOMETHYL-NAPHTHALEN-2- YL)-PROPIONIC ACID ETHYL ESTER | H | 1UVU | 0.72 | |
033 | N-({4'-[(1-BENZOFURAN-2-YLCARBONYL)AMINO]- 1,1'-BIPHENYL-4-YL}SULFONYL)-L- VALINE | A,B,C,D | 1ZTQ | 0.73 | |
D55 | 4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)- 3,5-dimethylbenzamide | A | 2VIQ | 0.8 | |
FLQ | N-[6-(ACETYLAMINO)HEXYL]-3',6'- DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN- 1,9'-XANTHENE]-6-CARBOXAMIDE | C | 2FDC | 0.71 | |
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 | 0.71 | |
PZD | (11aS)-7,8-dimethoxy-2-naphthalen- 2-yl-1,10,11,11a-tetrahydro-5H- pyrrolo[2,1-c][1,4]benzodiazepin- 5-one | A,B | 2K4L | 0.77 | |
PH7 | (2Z)-2-(BENZOYLAMINO)-3-[4-(2-BROMOPHENOXY)PHENYL]- 2-PROPENOIC ACID | A | 1YVF | 0.7 | |
421 | 6-CARBAMIMIDOYL-4-(3-HYDROXY-2- METHYL-BENZOYLAMINO)-NAPHTHALENE- 2-CARBOXYLIC ACID METHYL ESTER | A | 1ZSK | 0.76 | |
CYF | 5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)- ACETYLAMINO]-2-(3,6-DIHYDROXY-9,9A- DIHYDRO-3H-XANTHEN-9-YL)-BENZOIC ACID | L,P | 1MPA | 0.72 | |
CYF | 5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)- ACETYLAMINO]-2-(3,6-DIHYDROXY-9,9A- DIHYDRO-3H-XANTHEN-9-YL)-BENZOIC ACID | L,P | 2MPA | 0.72 | |
CYF | 5-[2-(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)- ACETYLAMINO]-2-(3,6-DIHYDROXY-9,9A- DIHYDRO-3H-XANTHEN-9-YL)-BENZOIC ACID | I,L | 1DZH | 0.72 | |
NBF | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A | 1NY0 | 0.73 | |
NBF | [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID | A,B | 1YMS | 0.73 | |
FMX | FAMOXADONE | C,D,E | 1L0L | 0.7 | |
617 | 2-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACID | A | 2QE5 | 0.71 | |
961 | 3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8- TETRAMETHYL-5,6,7,8,-TETRAHYDRO- NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID | A | 4LBD | 0.71 | |
961 | 3-FLUORO-4-[2-HYDROXY-2-(5,5,8,8- TETRAMETHYL-5,6,7,8,-TETRAHYDRO- NAPHTALEN-2-YL)-ACETYLAMINO]-BENZOIC ACID | A | 1EXX | 0.71 | |
709 | N-(7-CARBAMIMIDOYL-NAPHTHALEN-1- YL)-3-HYDROXY-2-METHYL-BENZAMIDE | A | 1ZSJ | 0.75 | |
DBO | N-{(1S,2R)-1-BENZYL-2-HYDROXY-3- [(3-METHYLBENZYL)AMINO]PROPYL}DIBENZO[B,F]OXEPINE- 10-CARBOXAMIDE | A,B,C,D | 2EWY | 0.71 | |
BN5 | 5-[3-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)- 2-METHYLPHENOXY]PENTANOIC ACID | A | 1WV1 | 0.71 | |
N3P | N-(4-CHLOROPHENYL)-3-(PHOSPHONOOXY)NAPHTHALENE- 2-CARBOXAMIDE | A,B,C,D | 2OT1 | 0.72 | |
R6G | RHODAMINE 6G | B | 2V3L | 0.77 | |
R37 | 3-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)- ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL- 5-PHENYL-PENTYL}-BENZAMIDE | A | 1LF2 | 0.75 | |
RXD | N-[3-(2-fluoroethoxy)phenyl]-N'- (1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin- 6-yl)butanediamide | A,B,C,D | 3DEK | 0.79 | |
44C | A | 2FBR | 0.78 | ||
VG4 | N-[(1S,2R)-1-benzyl-3-{[(1S)-2- (cyclohexylamino)-1-methyl-2-oxoethyl]amino}- 2-hydroxypropyl]-3-(2-oxo-2,3-dihydro- 1H-pyrrol-1-yl)-5-propoxybenzamide | A | 2VIZ | 0.73 | |
ILB | A | 2FPT | 0.71 | ||
HWG | N-(TERT-BUTYL)-3,5-DIMETHYL-N'- [(5-METHYL-2,3-DIHYDRO-1,4-BENZODIOXIN- 6-YL)CARBONYL]BENZOHYDRAZIDE | A,D | 1R20 | 0.73 | |
D27 | 2-{[(2E)-3-(3,4-dimethoxyphenyl)prop- 2-enoyl]amino}benzoic acid | A,B,C,D | 2VD0 | 0.74 | |
BSD | N-{(1S,2R)-1-benzyl-2-hydroxy-3- [(3-methoxybenzyl)amino]propyl}- 5-[methyl(methylsulfonyl)amino]- N'-[(1R)-1-phenylethyl]benzene- 1,3-dicarboxamide | A,B,C,D | 2VKM | 0.73 | |
561 | 6-HYDROXY-3-{(4R)-1-[4-(1-NAPHTHYLAMINO)- 4-OXOBUTYL]-1,2,3-TRIAZOLIDIN-4- YL}-1-BENZOFURAN-5-CARBOXYLIC ACID | A,B | 2QCT | 0.74 | |
426 | 6-[(Z)-AMINO(IMINO)METHYL]-N-[3- (CYCLOPENTYLOXY)PHENYL]-2-NAPHTHAMIDE | A | 1OWI | 0.87 |