Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00147389
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 | ![]() |
FLQ![]() | N-[6-(ACETYLAMINO)HEXYL]-3',6'- DIHYDROXY-3-OXO-3H-SPIRO[2-BENZOFURAN- 1,9'-XANTHENE]-6-CARBOXAMIDE | C | 2FDC | 0.72 | ![]() |
R37![]() | 3-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)- ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL- 5-PHENYL-PENTYL}-BENZAMIDE | A | 1LF2 | 0.71 | ![]() |
RXD![]() | N-[3-(2-fluoroethoxy)phenyl]-N'- (1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin- 6-yl)butanediamide | A,B,C,D | 3DEK | 0.73 | ![]() |
BC6![]() | (4E,8S,9R,10E,12S,13R,14S,16R)- 13,20-dihydroxy-14-methoxy-4,8,10,12,16- pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa- 1(22),4,10,18,20-pentaen-9-yl carbamate | A,B,C,D | 2VW5 | 0.7 | ![]() |
P9C![]() | 3-({3-[(1S,4S,4aS,6S,7S,9S,9aR)- 1,6-dimethyl-2-oxo-4-phenyldecahydro- 6,9-epoxy-4a,7-methanobenzo[7]annulen- 1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid | A | 3G11 | 0.71 | ![]() |
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 | 0.72 | ![]() |
VG2![]() | 4-(2-aminoethoxy)-N-(3-chloro-5- piperidin-1-ylphenyl)-3,5-dimethylbenzamide | A | 2VIV | 0.71 | ![]() |
A24![]() | (3-NITRO-5-(2-MORPHOLIN-4-YL-ETHYLAMINOCARBONYL)PHENYL)- GALACTOPYRANOSIDE | D,E,F,G,H | 1JR0 | 0.7 | ![]() |
D27![]() | 2-{[(2E)-3-(3,4-dimethoxyphenyl)prop- 2-enoyl]amino}benzoic acid | A,B,C,D | 2VD0 | 0.79 | ![]() |
DPA![]() | A,B | 1PIK | 0.77 | ![]() | |
C00![]() | 2-(4-hydroxybiphenyl-3-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione | A | 3BYX | 0.71 | ![]() |
C00![]() | 2-(4-hydroxybiphenyl-3-yl)-4-methyl- 1H-isoindole-1,3(2H)-dione | A | 3BZ0 | 0.71 | ![]() |
BN4![]() | 4-[4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)- 2,3-DIMETHYLPHENOXY]BUTANOIC ACID | A | 1WV0 | 0.72 | ![]() |
R2C![]() | 5-METHOXY-2-[(4-PHENOXYPHENYL)AMINO]BENZOIC ACID | A | 2PRL | 0.75 | ![]() |
AI1![]() | N-BENZYL-3-(ALPHA-D-GALACTOS-1- YL)-BENZAMIDE | D,E,F,G,H,L, M,N,O,P | 1FD7 | 0.71 | ![]() |
413![]() | (S)-[(R)-2-(4-BENZYLOXY-3-METHOXY- PHENYL)-2-(4-CARBAMIMIDOYL-PHENYLAMINO)- ACETYLAMINO]-PHENYL-ACETIC ACID | H,L | 1W7X | 0.74 | ![]() |
413![]() | (S)-[(R)-2-(4-BENZYLOXY-3-METHOXY- PHENYL)-2-(4-CARBAMIMIDOYL-PHENYLAMINO)- ACETYLAMINO]-PHENYL-ACETIC ACID | H | 1W8B | 0.74 | ![]() |
195![]() | 4-{2,4-BIS[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACID | A | 1Z6Q | 0.77 | ![]() |
451![]() | N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin- 2-yl)acetamide | A | 3FYX | 0.71 | ![]() |
BN5![]() | 5-[3-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)- 2-METHYLPHENOXY]PENTANOIC ACID | A | 1WV1 | 0.7 | ![]() |
RDE![]() | 2-(3-AMINO-2,5,6-TRIMETHOXYPHENYL)ETHYL 5- CHLORO-2,4-DIHYDROXYBENZOATE | A,B | 2FYP | 0.75 | ![]() |
RDE![]() | 2-(3-AMINO-2,5,6-TRIMETHOXYPHENYL)ETHYL 5- CHLORO-2,4-DIHYDROXYBENZOATE | A | 1ZWH | 0.75 | ![]() |
RDA![]() | METHYL 3-CHLORO-2-{3-[(2,5-DIHYDROXY- 4-METHOXYPHENYL)AMINO]-3-OXOPROPYL}- 4,6-DIHYDROXYBENZOATE | A,B | 2GFD | 0.8 | ![]() |
RDA![]() | METHYL 3-CHLORO-2-{3-[(2,5-DIHYDROXY- 4-METHOXYPHENYL)AMINO]-3-OXOPROPYL}- 4,6-DIHYDROXYBENZOATE | A | 2FXS | 0.8 | ![]() |
4BS![]() | 4-amino-N-[4-(benzyloxy)phenyl]butanamide | A | 3CHR | 0.7 | ![]() |
D55![]() | 4-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)- 3,5-dimethylbenzamide | A | 2VIQ | 0.77 | ![]() |
L1R![]() | 4-(2-AMINOETHOXY)-3,5-DICHLORO- N-[3-(1-METHYLETHOXY)PHENYL]BENZAMIDE | A | 2VIP | 0.71 | ![]() |
PMN![]() | PLATENSIMYCIN | A | 2GFX | 0.71 | ![]() |
RHO![]() | TETRAMETHYLRHODAMINE-5-MALEIMIDE | A | 1J6Z | 0.73 | ![]() |
RHO![]() | TETRAMETHYLRHODAMINE-5-MALEIMIDE | A | 1NWK | 0.73 | ![]() |
NOV![]() | NOVOBIOCIN | A,B | 1KIJ | 0.72 | ![]() |
NOV![]() | NOVOBIOCIN | A,B | 1S14 | 0.72 | ![]() |
NOV![]() | NOVOBIOCIN | A | 1AJ6 | 0.72 | ![]() |
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 | 0.7 | ![]() |
PCY![]() | PACTAMYCIN | A,D,H,N | 1HNX | 0.72 | ![]() |
MBQ![]() | 2-HYDROXY-5-({1-[(4-METHYLPHENOXY)METHYL]- 3-OXOPROP-1-ENYL}AMINO)-L-TYROSINE | A | 1SIH | 0.8 | ![]() |
EH5![]() | N-(1-BENZYL-3-{[3-(1,3-DIOXO-1,3- DIHYDRO-ISOINDOL-2-YL)-PROPIONYL]- [2-(HEXAHYDRO-BENZO[1,3]DIOXOL- 5-YL)-ETHYL]-AMINO}-2-HYDROXY-PROPYL)- 4-BENZYLOXY-3,5-DIMETHOXY-BENZAMIDE | A | 1LF3 | 0.72 | ![]() |
418![]() | 2-{4-[2-(S)-ALLYLOXYCARBONYLAMINO- 3-{4-[(2-CARBOXY-PHENYL)-OXALYL- AMINO]-PHENYL}-PROPIONYLAMINO]- BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER | A | 1PH0 | 0.73 | ![]() |
346![]() | (R)-(4-CARBAMIMIDOYL-PHENYLAMINO)- [5-ETHOXY-2-FLUORO-3-[(R)-TETRAHYDRO- FURAN-3-YLOXY]-PHENYL]-ACETIC ACID | H | 2BZ6 | 0.75 | ![]() |
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 | ![]() |
A32![]() | (3-NITRO-5-(3-MORPHOLIN-4-YL-PROPYLAMINOCARBONYL)PHENYL)- GALACTOPYRANOSIDE | D,E,F,G,H,L, M,O,P,V,W,X, Y,Z | 1JQY | 0.71 | ![]() |
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 | 0.7 | ![]() |
MOB![]() | A,B | 1SRH | 0.71 | ![]() | |
U04![]() | ({3-[1-(4-HYDROXY-2-OXO-2H-CHROMEN- 3-YL)-PROPYL]-PHENYLCARBAMOYL}- METHYL)-CARBAMIC ACID TERT-BUTYL ESTER | A | 4UPJ | 0.71 | ![]() |
371![]() | 2-(3,4-DIHYDROXYPHENYL)-8-(1,1- DIOXIDOISOTHIAZOLIDIN-2-YL)-3-HYDROXY- 6-METHYL-4H-CHROMEN-4-ONE | A | 2DUV | 0.72 | ![]() |
4BU![]() | (2S)-2-amino-5-[[4-[(2S)-2-hydroxy- 2-phenyl-ethoxy]phenyl]amino]-5- oxo-pentanoic acid | A | 3CHS | 0.73 | ![]() |
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 | 0.75 | ![]() |
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 | 0.75 | ![]() |
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 | 0.75 | ![]() |
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 | 0.72 | ![]() |
R6G![]() | RHODAMINE 6G | B | 2V3L | 0.73 | ![]() |
44C![]() | A | 2FBR | 0.73 | ![]() | |
421![]() | 6-CARBAMIMIDOYL-4-(3-HYDROXY-2- METHYL-BENZOYLAMINO)-NAPHTHALENE- 2-CARBOXYLIC ACID METHYL ESTER | A | 1ZSK | 0.71 | ![]() |
R36![]() | 4-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)- ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL- 5-PHENYL-PENTYL}-BENZAMIDE | A | 1LEE | 0.71 | ![]() |
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 | 0.74 | ![]() |
3B6![]() | (2S)-N-(4-cyano-3-iodophenyl)-3- (4-cyanophenoxy)-2-hydroxy-2-methylpropanamide | A | 3B65 | 0.7 | ![]() |
3FT![]() | A | 2BXV | 0.72 | ![]() | |
617![]() | 2-{[(4-CHLOROPHENOXY)ACETYL]AMINO}BENZOIC ACID | A | 2QE5 | 0.71 | ![]() |
515![]() | 3-({5-[(N-ACETYL-3-{4-[(CARBOXYCARBONYL)(2- CARBOXYPHENYL)AMINO]-1-NAPHTHYL}- L-ALANYL)AMINO]PENTYL}OXY)-2-NAPHTHOIC ACID | A | 1NNY | 0.71 | ![]() |
P9A![]() | 3-({3-[(1S,4aS,6S,7S,9S,9aR)-1,6- dimethyl-2-oxodecahydro-6,9-epoxy- 4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)- 2,4-dihydroxybenzoic acid | A | 3G0Y | 0.71 | ![]() |
IC1![]() | 3-[(2,4,6-TRIMETHOXY-PHENYL)-METHYLENE]- INDOLIN-2-ONE | A,B | 1EH4 | 0.76 | ![]() |
NBQ![]() | 2-HYDROXY-5-({1-[(2-NAPHTHYLOXY)METHYL]- 3-OXOPROP-1-ENYL}AMINO)TYROSINE | A | 1SII | 0.79 | ![]() |
194![]() | 4-{2-[(3-NITROBENZOYL)AMINO]PHENOXY}PHTHALIC ACID | A | 1Z6P | 0.79 | ![]() |
380![]() | (2R)-2-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO)- N-BENZYL-2-(3,4-DIMETHOXYPHENYL)ACETAMIDE | H,L | 1W2K | 0.71 | ![]() |
ILB![]() | A | 2FPT | 0.71 | ![]() | |
429![]() | 2-{4-[2-ACETYLAMINO-3-(4-CARBOXYMETHOXY- 3-HYDROXY-PHENYL)-PROPIONYLAMINO]- BUTOXY}-6-HYDROXY-BENZOIC ACID METHYL ESTER | A | 1QXK | 0.72 | ![]() |
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 | ![]() |
6CA![]() | A | 2FLM | 0.73 | ![]() | |
D56![]() | 4-(2-aminoethoxy)-N-(3-chloro-2- ethoxy-5-piperidin-1-ylphenyl)- 3,5-dimethylbenzamide | A | 2VIW | 0.71 | ![]() |
RQ3![]() | 2-{4-[(3,5-DIMETHYLANILINO)-CARBONYL- METHYL]-PHENOXY}-2-METHYLPROPIONIC ACID | A,B,C,D | 1G9V | 0.75 | ![]() |
ST2![]() | 4-(ACETYLAMINO)-5-AMINO-3-HYDROXYBENZOIC ACID | A,B | 1IVC | 0.72 | ![]() |
TMS![]() | N-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY- PHENYL)-VINYL]-BENZAMIDE | A,B | 1X6W | 0.77 | ![]() |
I25![]() | (2R)-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO){3- [3-(DIMETHYLAMINO)-2,2-DIMETHYLPROPOXY]- 5-ETHYLPHENYL}ACETIC ACID | H,I | 2V3H | 0.71 | ![]() |
FLG![]() | FLUORESCEINYLTHIOUREIDO | A,B | 1OCB | 0.75 | ![]() |