Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03381309
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 |
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 | 0.7 | ![]() |
HC7![]() | (2S)-2-[4'-({dimethyl[2-(phosphonooxy)ethyl]ammonio}acetyl)biphenyl- 4-yl]-2-hydroxy-4,4-dimethylmorpholin- 4-ium | A | 3FEG | 0.75 | ![]() |
U16![]() | METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY- 3-(4-ISOPROPYLPHENYL)PROPANOYL]- D-ALANYL-D-LEUCINATE | A | 2GG9 | 0.72 | ![]() |
316![]() | N'-[(1S,2S)-2-[(2S)-4-benzyl-3- oxopiperazin-2-yl]-1-(3,5-difluorobenzyl)- 2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene- 1,3-dicarboxamide | A,B | 3CIC | 0.72 | ![]() |
BFN![]() | 5-(acetylamino)-2,6-anhydro-3,5,9- trideoxy-3-fluoro-9-[(phenylcarbonyl)amino]- D-arabino-L-galacto-nononic acid | A | 3B69 | 0.72 | ![]() |
TF1![]() | 4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)- 3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN- 1-YL}CARBONYL)BENZONITRILE | A | 2BU5 | 0.71 | ![]() |
TF1![]() | 4-({(2R,5S)-2,5-DIMETHYL-4-[(2R)- 3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN- 1-YL}CARBONYL)BENZONITRILE | A | 2BU2 | 0.71 | ![]() |
OIN![]() | (1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT- 3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE | A | 1TH6 | 0.74 | ![]() |
OIN![]() | (1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT- 3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE | A | 2ARM | 0.74 | ![]() |
P21![]() | 4-chloro-N-(3-methoxypropyl)-N- [(3S)-1-(2-phenylethyl)piperidin- 3-yl]benzamide | A | 2VD4 | 0.71 | ![]() |
RCP![]() | (3R)-1'-(9-ANTHRYLCARBONYL)-3-(MORPHOLIN- 4-YLCARBONYL)-1,4'-BIPIPERIDINE | A,B,C | 1W2X | 0.72 | ![]() |
RCP![]() | (3R)-1'-(9-ANTHRYLCARBONYL)-3-(MORPHOLIN- 4-YLCARBONYL)-1,4'-BIPIPERIDINE | A,B,C,D | 3FF6 | 0.72 | ![]() |
ARQ![]() | BENZOYLAMINO-BENZYL-METHYL-[2-HYDROXY- 3-[1-METHYL-ETHYL-OXY-N-FORMAMIDYL]- 4-PHENYL-BUTYL]-AMMONIUM | A | 3AID | 0.74 | ![]() |
SB3![]() | 1,3-DIPHENYL-1-PROPYL-1-(3,3-DIMETHYL- 1,2-DIOXYPENTYL)-2-PIPERIDINE CARBOXYLATE | A | 1FKG | 0.72 | ![]() |
KHA![]() | 1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)- 1-METHYLPIPERIDINIUM | H,L,X,Y | 1UWG | 0.74 | ![]() |
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 | 0.71 | ![]() |
F2I![]() | N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)- 2-HYDROXY-3-[(3-IODOBENZYL)AMINO]PROPYL}- 5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE | A | 2IQG | 0.75 | ![]() |
CS7![]() | N'-[(1S,2R)-2-[(2R,4R)-4-(BENZYLOXY)PYRROLIDIN- 2-YL]-1-(3,5-DIFLUOROBENZYL)-2- HYDROXYETHYL]-5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE | A,B | 2QMD | 0.72 | ![]() |
BCG![]() | 3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE- 2-CARBOXYLIC ACID | H | 1QYG | 0.72 | ![]() |
MPQ![]() | N-METHYL-ALPHA-PHENYL-GLYCINE | D | 1D6E | 0.71 | ![]() |
HOP![]() | (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)- 5-PHENYL-1-CYCLOHEXANOL | H,L | 1D6V | 0.76 | ![]() |
HOP![]() | (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)- 5-PHENYL-1-CYCLOHEXANOL | A,B,H,L | 1AXS | 0.76 | ![]() |
PBF![]() | PARA-(BENZOYL)-PHENYLALANINE | A | 2FR9 | 0.73 | ![]() |
PBF![]() | PARA-(BENZOYL)-PHENYLALANINE | A,B | 1EEN | 0.73 | ![]() |
PBF![]() | PARA-(BENZOYL)-PHENYLALANINE | A | 2HGZ | 0.73 | ![]() |
PBF![]() | PARA-(BENZOYL)-PHENYLALANINE | A | 2FRB | 0.73 | ![]() |
LZQ![]() | 4-[3-(dibenzylamino)phenyl]-2,4- dioxobutanoic acid | A | 3EB1 | 0.72 | ![]() |
LOB![]() | LOBELINE | A,B,C,D,E,F, G,H,I,J | 2BYS | 0.85 | ![]() |
C90![]() | N-{(1S,2R)-2-hydroxy-1-[(hydroxyamino)carbonyl]propyl}- 4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}benzamide | A | 2JT2 | 0.74 | ![]() |
BDU![]() | ME-A-9-N-(BIPHENYL-4-CARBONYL)- AMINO-9-DEOXY-NEU5AC | A | 1ODA | 0.72 | ![]() |
U15![]() | METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY- 3-(4-METHYLPHENYL)PROPANOYL]-D- ALANYL-D-LEUCINATE | A | 2GG8 | 0.73 | ![]() |
HTQ![]() | HOMOTROPINE | A,B,C | 2DQZ | 0.73 | ![]() |
HTQ![]() | HOMOTROPINE | A,B,C,D,E,F | 1MX5 | 0.73 | ![]() |
KAF![]() | N-{(5S)-4,4-dihydroxy-6-phenyl- 5-[(phenylcarbonyl)amino]hexanoyl}- L-phenylalanine | A | 3BKK | 0.73 | ![]() |
OTG![]() | ORTHO-TOLUOYLGLUCOSAMINE | A | 2YHX | 0.71 | ![]() |
VG7![]() | N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)- 2-hydroxypropyl]-3-(ethylamino)- 5-(2-oxopyrrolidin-1-yl)benzamide | A | 2VJ9 | 0.7 | ![]() |
F59![]() | N-[(biphenyl-4-ylcarbonyl)carbamoyl]- beta-D-glucopyranosylamine | A | 2QLN | 0.71 | ![]() |
SBX![]() | 1-CYCLOHEXYL-3-PHENYL-1-PROPYL- 1-(3,3-DIMETHYL-1,2-DIOXYPENTYL)- 2-PIPERIDINE CARBOXYLATE | A | 1FKH | 0.73 | ![]() |
4PI![]() | N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE | A,B | 2NSD | 0.73 | ![]() |
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 | 0.77 | ![]() |
U11![]() | METHYL N-{(2S,3R)-3-AMINO-2-HYDROXY- 3-[4-(TRIFLUOROMETHYL)PHENYL]PROPANOYL}ALANYLGLYCINATE | A | 2GG0 | 0.72 | ![]() |
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 | 0.77 | ![]() |
BND![]() | ME-A-N-BENZOYL-AMINO-9-DEOXY-NEU5AC | A | 1OD9 | 0.71 | ![]() |
K30![]() | (2S)-4-(2,5-difluorophenyl)-N-[(3R,4S)- 3-fluoro-1-methylpiperidin-4-yl]- 2-(hydroxymethyl)-N-methyl-2-phenyl- 2,5-dihydro-1H-pyrrole-1-carboxamide | A,B | 3CJO | 0.71 | ![]() |