Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01986112
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 |
903 | 2-{4-[2-ACETYLAMINO-2-(1-BIPHENYL- 4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)- ETHYL]-2-METHOXYCARBONYL-PHENYL}- 2-FLUORO-MALONIC ACID | A | 1O46 | 0.71 | |
K55 | (2S)-2-{4-butoxy-3-[({[2-fluoro- 4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid | A,B | 2ZNP | 0.72 | |
401 | (2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]- 4-methoxybenzyl}butanoic acid | A,B | 2ZNQ | 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 | 0.71 | |
BJP | (1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID | A | 1ERO | 0.73 | |
C01 | (2S)-(4-ISOPROPYLPHENYL)[(2-METHYL- 3-OXO-5,7-DIPROPYL-2,3-DIHYDRO- 1,2-BENZISOXAZOL-6-YL)OXY]ACETATE | A | 1ZEO | 0.71 | |
864 | (2S)-2-[3-(AMINOMETHYL)PHENYL]- 3-[(R)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}- 2-METHYLPROPYL](HYDROXY)PHOSPHORYL]PROPANOIC ACID | A,B,C | 2PJ2 | 0.71 | |
186 | [1-(1-METHYL-4,5-DIOXO-PENT-2-ENYLCARBAMOYL)- 2-PHENYL-ETHYL]-CARBAMIC ACID BENZYL ESTER | X | 1U9Q | 0.73 | |
DEO | A,B | 1ROS | 0.84 | ||
XIN | methyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin- 1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}- 2-oxo-2,3-dihydro-1H-indole-6-carboxylate | A | 3C7Q | 0.75 | |
BCG | 3-(BENZOYLOXY)-8-METHYL-8-AZABICYCLO[3.2.1]OCTANE- 2-CARBOXYLIC ACID | H | 1QYG | 0.71 | |
AJH | 4-({4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]- 1,4-diazepan-1-yl}carbonyl)benzoic acid | A,B | 3EIO | 0.73 | |
WH6 | 2-[(1R)-2-carboxy-1-(naphthalen- 1-ylmethyl)ethyl]-1,3-dioxo-2,3- dihydro-1H-isoindole-5-carboxylic acid | A,B | 2R9X | 0.8 | |
MN7 | 1-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENE | N | 1NLO | 0.72 | |
RAC | 4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)- BENZOIC ACID | H | 1MEX | 0.72 | |
853 | 5-[2-ACETYLAMINO-2-(1-BIPHENYL- 4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)- ETHYL]-2-CARBOXYMETHYL-BENZOIC ACID | A | 1O48 | 0.71 | |
BJI | 1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID | A | 1ERM | 0.71 | |
DK2 | 2-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]- 1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID | A,B | 2PU2 | 0.77 | |
ITA | {4-[(CARBOXYMETHOXY)CARBONYL]-3,3- DIOXIDO-1-OXONAPHTHO[1,2-D]ISOTHIAZOL- 2(1H)-YL}ACETIC ACID | A | 2NVC | 0.74 | |
M38 | 4-(5,11-DIOXO-5H-INDENO[1,2-C]ISOQUINOLIN- 6(11H)-YL)BUTANOATE | A,C | 1SC7 | 0.71 | |
23C | 2-[(1R)-1-carboxy-2-naphthalen- 1-ylethyl]-1,3-dioxo-2,3-dihydro- 1H-isoindole-5-carboxylic acid | A,B | 2R9W | 0.78 | |
46C | 4-[(6-chloro-1-oxo-4-phenyl-3-propanoylisoquinolin- 2(1H)-yl)methyl]benzoic acid | A | 2ZDT | 0.7 | |
COC | COCAINE | A,C | 1I7Z | 0.72 | |
COC | COCAINE | H | 1Q72 | 0.72 | |
COC | COCAINE | L | 2AJV | 0.72 | |
COC | COCAINE | A,B,C,D,E | 2PGZ | 0.72 | |
BM5 | (R)-(+) 5(9BH)-OXO-9B-PHENYL-2,3- DIHYDROTHIAZOLO[2,3-A]ISOINDOL- 3-CARBOXYLIC ACID METHYL ESTER | A | 1C0U | 0.71 | |
SP6 | BENZYL 6-BENZYL-5,7-DIOXO-6,7-DIHYDRO- 5H-[1,3]THIAZOLO[3,2-C]PYRIMIDINE- 2-CARBOXYLATE | A,B | 2OW9 | 0.71 | |
4PI | N-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINE | A,B | 2NSD | 0.7 | |
GK4 | N-(cyclopropylmethyl)-2'-methyl- 5'-(5-methyl-1,3,4-oxadiazol-2- yl)biphenyl-4-carboxamide | A | 2ZB1 | 0.74 | |
072 | (+/-)(2S,5S)-3-(4-(4-CARBOXYPHENYL)BUTYL)- 2-HEPTYL-4-OXO-5-THIAZOLIDINE | A,B,C,D | 4PRG | 0.77 | |
4MP | 1-(4-METHOXYBENZOYL)-2-PYRROLIDINONE | A,B | 2AL5 | 0.74 | |
G6A | N-cyclopropyl-2',6-dimethyl-4'- (5-methyl-1,3,4-oxadiazol-2-yl)biphenyl- 3-carboxamide | A | 3E92 | 0.73 | |
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 | |
197 | 4-[2-ACETYLAMINO-2-(1-BIPHENYL- 4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)- ETHYL]-2-FORMYL-BENZOIC ACID | A | 1O4A | 0.73 | |
DAI | (3AS,9AS)-2-PENTYL-4-HYDROXYMETHYL- 3A,4,9,9A-TETRAHYDRO-4,9[1',2']- BENZENO-1H-BENZ[F]ISOINDOLE-1,3(2H)- DIONE | A,B,C,D | 1YLS | 0.7 | |
DAI | (3AS,9AS)-2-PENTYL-4-HYDROXYMETHYL- 3A,4,9,9A-TETRAHYDRO-4,9[1',2']- BENZENO-1H-BENZ[F]ISOINDOLE-1,3(2H)- DIONE | A,B,C,D | 1YKV | 0.7 | |
77B | BENZYL N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN- 2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINATE | A | 2DCC | 0.7 | |
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 | 0.7 | |
ENB | ETHYL (2E,4S)-4-[((2R)-2-{[N-(TERT- BUTOXYCARBONYL)-L-VALYL]AMINO}- 2-PHENYLETHANOYL)AMINO]-5-[(3S)- 2-OXOPYRROLIDIN-3-YL]PENT-2-ENOATE | A,B | 2D2D | 0.71 | |
ITB | 2-(CARBOXYMETHYL)-1-OXO-1,2-DIHYDRONAPHTHO[1,2- D]ISOTHIAZOLE-4-CARBOXYLIC ACID 3,3- DIOXIDE | A | 2NVD | 0.71 | |
HC7 | (2S)-2-[4'-({dimethyl[2-(phosphonooxy)ethyl]ammonio}acetyl)biphenyl- 4-yl]-2-hydroxy-4,4-dimethylmorpholin- 4-ium | A | 3FEG | 0.71 | |
SB3 | 1,3-DIPHENYL-1-PROPYL-1-(3,3-DIMETHYL- 1,2-DIOXYPENTYL)-2-PIPERIDINE CARBOXYLATE | A | 1FKG | 0.71 | |
GR1 | 6-CARBAMIMIDOYL-2-[5-(3-DIETHYLCARBAMOYL- PHENYL)-2-HYDROXY-INDAN-1-YL]-HEXANOIC ACID | B,I | 1QJ7 | 0.73 | |
4BA | 4-[(2-CARBOXY-ETHYLAMINO)-METHYL]- BENZOIC ACID | C | 1FAV | 0.71 | |
BM6 | 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID | A | 1MVC | 0.71 | |
BM6 | 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8- TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN- 2-YL]-BENZOIC ACID | A,C,E,G | 1MZN | 0.71 |