Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01871392
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 |
ARQ | BENZOYLAMINO-BENZYL-METHYL-[2-HYDROXY- 3-[1-METHYL-ETHYL-OXY-N-FORMAMIDYL]- 4-PHENYL-BUTYL]-AMMONIUM | A | 3AID | 0.72 |  |
PNM | OPEN FORM - PENICILLIN G | A | 1GHP | 0.7 | |
| PNM | OPEN FORM - PENICILLIN G | A | 1PWC | 0.7 | |
| PNM | OPEN FORM - PENICILLIN G | A | 1IYQ | 0.7 | |
| PNM | OPEN FORM - PENICILLIN G | A | 1FQG | 0.7 | |
| PNM | OPEN FORM - PENICILLIN G | A,B,C,D | 2J8Y | 0.7 | |
| PNM | OPEN FORM - PENICILLIN G | A,B,C,D | 2JBF | 0.7 | |
| PNM | OPEN FORM - PENICILLIN G | A | 2EX8 | 0.7 | |
GPR | (9R,10R)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A,B | 1MTC | 0.71 | |
| GPR | (9R,10R)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A,B | 5FWG | 0.71 | |
| GPR | (9R,10R)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A,B | 2PGT | 0.71 | |
| GPR | (9R,10R)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A,B | 3FYG | 0.71 | |
| GPR | (9R,10R)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A,B | 3GST | 0.71 | |
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 | 0.7 | |
VG3 | N-[(1S,2R)-1-benzyl-3-{[(1S)-2- (cyclohexylamino)-1-methyl-2-oxoethyl]amino}- 2-hydroxypropyl]-3-(pentylsulfonyl)benzamide | A | 2VIY | 0.76 | |
TI3 | [(2S)-2-SULFANYL-3-PHENYLPROPANOYL]- GLY-(5-PHENYLPROLINE) | A | 1QF2 | 0.72 | |
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 | 0.72 | |
L27 | {1-BENZYL-3-[2-BENZYL-3-OXO-4-(1- OXO-1,2,3,4-TETRAHYDRO- ISOQUINOLIN- 4-YL)-2,3-DIHYDRO-1H-PYRROL-2-YL]- 2- HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO- FURAN-3-YL ESTER | A | 1NPV | 0.73 | |
GBX | 2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)- 2-(9-HYDROXY-7,8-DIOXO-7,8,9,10- TETRAHYDRO-BENZO[DEF]CHRYSEN-10- YLSULFANYL)-ETHYLCARBAMOYL]-BUTYRIC ACID | A,B | 4PGT | 0.75 | |
| GBX | 2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)- 2-(9-HYDROXY-7,8-DIOXO-7,8,9,10- TETRAHYDRO-BENZO[DEF]CHRYSEN-10- YLSULFANYL)-ETHYLCARBAMOYL]-BUTYRIC ACID | A,B | 3PGT | 0.75 | |
| GBX | 2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)- 2-(9-HYDROXY-7,8-DIOXO-7,8,9,10- TETRAHYDRO-BENZO[DEF]CHRYSEN-10- YLSULFANYL)-ETHYLCARBAMOYL]-BUTYRIC ACID | A,B | 1F3B | 0.75 | |
| GBX | 2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)- 2-(9-HYDROXY-7,8-DIOXO-7,8,9,10- TETRAHYDRO-BENZO[DEF]CHRYSEN-10- YLSULFANYL)-ETHYLCARBAMOYL]-BUTYRIC ACID | A,B | 1ML6 | 0.75 | |
HOP | (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)- 5-PHENYL-1-CYCLOHEXANOL | H,L | 1D6V | 0.73 | |
| HOP | (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)- 5-PHENYL-1-CYCLOHEXANOL | A,B,H,L | 1AXS | 0.73 | |
G23 | (2R,4S)-2-[(R)-BENZYLCARBAMOYL- PHENYLACETYL-METHYL]-5,5-DIMETHYL- THIAZOLIDINE-4-CARBOXYLIC ACID | A | 1HTE | 0.76 | |
PNN | PENICILLIN G | A,B | 1GM7 | 0.7 | |
| PNN | PENICILLIN G | B | 1FXV | 0.7 | |
| PNN | PENICILLIN G | A | 1UOF | 0.7 | |
| PNN | PENICILLIN G | A | 1UOB | 0.7 | |
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 | 0.7 | |
MRT | (5R,9S,12S,15S,18S,21S)-21-benzyl- 12,18-bis(carboxymethyl)-15-cyclohexyl- 1-(9H-fluoren-9-yl)-4-methyl-9- (2-methylpropyl)-3,6,10,13,16,19- hexaoxo-5-phenyl-2-oxa-4,8,11,14,17,20- hexaazadocosan-22-oic acid | A | 2ZLG | 0.7 | |
TIN | A,B | 1N94 | 0.79 | | |
PN1 | (2S,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}- 3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE- 2-CARBOXYLIC ACID | A | 1W2N | 0.72 | |
| PN1 | (2S,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}- 3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE- 2-CARBOXYLIC ACID | A | 1UNB | 0.72 | |
1UN | 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL- BENZOYLAMINO)-4-PHENYL SULFANYL- BUTYL]-DECAHYDRO-ISOQUINOLINE-3- CARBOXYLIC ACID TERT-BUTYLAMIDE | A | 2Q63 | 0.7 | |
| 1UN | 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL- BENZOYLAMINO)-4-PHENYL SULFANYL- BUTYL]-DECAHYDRO-ISOQUINOLINE-3- CARBOXYLIC ACID TERT-BUTYLAMIDE | B | 2Q64 | 0.7 | |
| 1UN | 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL- BENZOYLAMINO)-4-PHENYL SULFANYL- BUTYL]-DECAHYDRO-ISOQUINOLINE-3- CARBOXYLIC ACID TERT-BUTYLAMIDE | B,D | 2R5Q | 0.7 | |
| 1UN | 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL- BENZOYLAMINO)-4-PHENYL SULFANYL- BUTYL]-DECAHYDRO-ISOQUINOLINE-3- CARBOXYLIC ACID TERT-BUTYLAMIDE | A | 2PYN | 0.7 | |
| 1UN | 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL- BENZOYLAMINO)-4-PHENYL SULFANYL- BUTYL]-DECAHYDRO-ISOQUINOLINE-3- CARBOXYLIC ACID TERT-BUTYLAMIDE | A | 2QAK | 0.7 | |
| 1UN | 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL- BENZOYLAMINO)-4-PHENYL SULFANYL- BUTYL]-DECAHYDRO-ISOQUINOLINE-3- CARBOXYLIC ACID TERT-BUTYLAMIDE | A | 2PYM | 0.7 | |
| 1UN | 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL- BENZOYLAMINO)-4-PHENYL SULFANYL- BUTYL]-DECAHYDRO-ISOQUINOLINE-3- CARBOXYLIC ACID TERT-BUTYLAMIDE | A | 1OHR | 0.7 | |
318 | N'-[(1S,2S)-2-[(4S)-1-benzyl-5- oxoimidazolidin-4-yl]-1-(3,5-difluorobenzyl)- 2-hydroxyethyl]-5-methyl-N,N-dipropylbenzene- 1,3-dicarboxamide | A,B | 3CID | 0.7 | |
699 | (2S,4S,5R)-2-ISOBUTYL-5-(2-THIENYL)- 1-[4-(TRIFLUOROMETHYL)BENZOYL]PYRROLIDINE- 2,4-DICARBOXYLIC ACID | A,B | 2JC0 | 0.7 | |
BM5 | (R)-(+) 5(9BH)-OXO-9B-PHENYL-2,3- DIHYDROTHIAZOLO[2,3-A]ISOINDOL- 3-CARBOXYLIC ACID METHYL ESTER | A | 1C0U | 0.74 | |
AIC | (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}- 3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE- 2-CARBOXYLIC ACID | A | 2RDD | 0.72 | |
| AIC | (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}- 3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE- 2-CARBOXYLIC ACID | A,B,C,D | 1NX9 | 0.72 | |
| AIC | (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}- 3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE- 2-CARBOXYLIC ACID | A | 1H8S | 0.72 | |
| AIC | (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}- 3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE- 2-CARBOXYLIC ACID | A | 2EX6 | 0.72 | |
852 | 2-{4-[2-ACETYLAMINO-2-(1-BIPHENYL- 4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)- ETHYL]-2-CARBOXY-PHENYL}-MALONIC ACID | A | 1O44 | 0.71 | |
072 | (+/-)(2S,5S)-3-(4-(4-CARBOXYPHENYL)BUTYL)- 2-HEPTYL-4-OXO-5-THIAZOLIDINE | A,B,C,D | 4PRG | 0.72 | |
821 | A | 1O43 | 0.71 | | |
G26 | 2-(BENZYLCARBAMOYL-PHENYLACETYLAMINO- METHYL)-5,5-DIMETHYL-THIAZOLIDINE- 4-CARBOXYLIC ACID (HYDROXYMETHYL- 2-PHENYLETHYL)AMIDE | A,B | 1HTF | 0.75 | |
HYB | [2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)- 3-NAPHTHALEN-1-YL-PROPIONYL-VALINYL]- PHENYLALANINOL | A | 1FMB | 0.71 | |
KAF | N-{(5S)-4,4-dihydroxy-6-phenyl- 5-[(phenylcarbonyl)amino]hexanoyl}- L-phenylalanine | A | 3BKK | 0.75 | |
853 | 5-[2-ACETYLAMINO-2-(1-BIPHENYL- 4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)- ETHYL]-2-CARBOXYMETHYL-BENZOIC ACID | A | 1O48 | 0.7 | |
GPS | (9S,10S)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A,B | 2GST | 0.71 | |
| GPS | (9S,10S)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A,B | 6GSW | 0.71 | |
| GPS | (9S,10S)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A,B | 6GSV | 0.71 | |
| GPS | (9S,10S)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A | 1B4P | 0.71 | |
| GPS | (9S,10S)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A,B | 6GSX | 0.71 | |
| GPS | (9S,10S)-9-(S-GLUTATHIONYL)-10- HYDROXY-9,10-DIHYDROPHENANTHRENE | A,B | 6GSU | 0.71 | |
TR1 | 2-(2-{2-[(BIPHENYL-4-YLMETHYL)- AMINO]-3-MERCAPTO-PENTANOYLAMINO}- ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER | A,B | 1C8T | 0.7 | |
| TR1 | 2-(2-{2-[(BIPHENYL-4-YLMETHYL)- AMINO]-3-MERCAPTO-PENTANOYLAMINO}- ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER | A,B | 1C3I | 0.7 | |