Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02418605
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 |
SM4 | (1R)-1-(2-THIOPHEN-2-YL-ACETYLAMINO)- 1-(3-(2-CARBOXYVINYL)-PHENYL) METHYLBORONIC ACID | A,B | 2RCX | 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 | 0.74 | |
ICX | methyl N-[(5Z)-6-({[4-(4-iodobenzyl)phenyl]carbonyl}amino)hex- 5-enoyl]glycinate | A,C,D,E,G,P, Q,R,W | 3CWB | 0.71 | |
HOP | (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)- 5-PHENYL-1-CYCLOHEXANOL | H,L | 1D6V | 0.7 | |
HOP | (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)- 5-PHENYL-1-CYCLOHEXANOL | A,B,H,L | 1AXS | 0.7 | |
PNN | PENICILLIN G | A,B | 1GM7 | 0.75 | |
PNN | PENICILLIN G | B | 1FXV | 0.75 | |
PNN | PENICILLIN G | A | 1UOF | 0.75 | |
PNN | PENICILLIN G | A | 1UOB | 0.75 | |
PG1 | PENICILLIN G ACYL-SERINE | A,B | 1XA7 | 0.72 | |
PG1 | PENICILLIN G ACYL-SERINE | A | 2IWC | 0.72 | |
PG1 | PENICILLIN G ACYL-SERINE | A,B | 1MWT | 0.72 | |
TP4 | N-[4-[[GLUTAMIC ACID]-CARBONYL]- BENZENE-SULFONYL-D-PROLINYL]-3- AMINO-PROPANOIC ACID | A,B | 1F4G | 0.72 | |
ALR | ALRESTATIN | A | 1AZ1 | 0.71 | |
JE2 | (R)-N-(2-METHYLBENZYL)-3-[(2S,3S)- 2-HYDROXY-3-(3-HYDROXY-2-METHYLBENZOYL)AMINO- 4-PHENYLBUTANOYL]-5,5-DIMETHYL- 1,3-THIAZOLIDINE-4-CARBOXAMIDE | A,B | 1KZK | 0.72 | |
JE2 | (R)-N-(2-METHYLBENZYL)-3-[(2S,3S)- 2-HYDROXY-3-(3-HYDROXY-2-METHYLBENZOYL)AMINO- 4-PHENYLBUTANOYL]-5,5-DIMETHYL- 1,3-THIAZOLIDINE-4-CARBOXAMIDE | B | 1MSM | 0.72 | |
JE2 | (R)-N-(2-METHYLBENZYL)-3-[(2S,3S)- 2-HYDROXY-3-(3-HYDROXY-2-METHYLBENZOYL)AMINO- 4-PHENYLBUTANOYL]-5,5-DIMETHYL- 1,3-THIAZOLIDINE-4-CARBOXAMIDE | A,B | 2ANL | 0.72 | |
JE2 | (R)-N-(2-METHYLBENZYL)-3-[(2S,3S)- 2-HYDROXY-3-(3-HYDROXY-2-METHYLBENZOYL)AMINO- 4-PHENYLBUTANOYL]-5,5-DIMETHYL- 1,3-THIAZOLIDINE-4-CARBOXAMIDE | B | 1MSN | 0.72 | |
HYB | [2-(2-METHYL-PROPANE-2-SULFONYLMETHYL)- 3-NAPHTHALEN-1-YL-PROPIONYL-VALINYL]- PHENYLALANINOL | A | 1FMB | 0.74 | |
072 | (+/-)(2S,5S)-3-(4-(4-CARBOXYPHENYL)BUTYL)- 2-HEPTYL-4-OXO-5-THIAZOLIDINE | A,B,C,D | 4PRG | 0.76 | |
G23 | (2R,4S)-2-[(R)-BENZYLCARBAMOYL- PHENYLACETYL-METHYL]-5,5-DIMETHYL- THIAZOLIDINE-4-CARBOXYLIC ACID | A | 1HTE | 0.82 | |
TI3 | [(2S)-2-SULFANYL-3-PHENYLPROPANOYL]- GLY-(5-PHENYLPROLINE) | A | 1QF2 | 0.77 | |
TI1 | [2(R,S)-2-SULFANYLHEPTANOYL]-PHE- ALA | A | 1R1I | 0.73 | |
TI1 | [2(R,S)-2-SULFANYLHEPTANOYL]-PHE- ALA | A | 1QF1 | 0.73 | |
FPB | N-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN- 2-YL}METHYL)BENZAMIDE | A,B | 2BUB | 0.72 | |
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 | 0.73 | |
HPI | N-(1-CARBOXY-3-PHENYLPROPYL)PHENYLALANYL- ALPHA-ASPARAGINE | A | 1U4G | 0.7 | |
OAP | 4-(S)-[(1-OXO-7-PHENYLHEPTYL)AMINO]- 5-[4-(PHENYLMETHYL)PHENYLTHIO]PENTANOIC ACID | A,B,C,D,E,F | 1KVO | 0.72 | |
GGC | 1-MENAPHTHYL GLUTATHIONE CONJUGATE | A,B | 3LJR | 0.75 | |
CEH | 5-{3-(S)-(4-(R)-ACETYLAMINO-4-CARBOXY- BUTYRYLAMINO)-3-[1-(R)-(1-(R)-CARBOXY- ETHYLCARBAMOYL)-ETHYLCARBAMOYL]- PROPYL}-2-(CARBOXY-PHENYLACETYLAMINO- METHYL)-3,6-DIHYDRO-2H-[1,3]THIAZINE- 4-CARBOXYLIC ACID | A | 1HVB | 0.71 | |
MNO | (3S)-N-METHANESULFONYL-3-({1-[N- (2-NAPHTOYL)-L-VALYL]-L-PROLYL}AMINO)- 4-OXOBUTANAMIDE | A | 1BMQ | 0.73 | |
C4P | N-[(1R)-2-(BENZYLSULFANYL)-1-FORMYLETHYL]- N-(MORPHOLIN-4-YLCARBONYL)-L-PHENYLALANINAMIDE | A | 1NQC | 0.7 | |
821 | A | 1O43 | 0.73 | ||
AO1 | (2S,3R)-3-AMINO-2-HYDROXY-5-(ETHYLSULFANYL)PENTANOYL- ((S)-(-)-(1-NAPHTHYL)ETHYL)AMIDE | A | 1R5G | 0.71 | |
FR1 | 2-[4-[[(S)-1-[[(S)-2-[[(RS)-3,3,3- TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL]AMINOCARBONYL]PYRROLIDIN- 1-YL-]CARBONYL]-2-METHYLPROPYL]AMINOCARBONYL]BENZOYLAMINO]ACETIC ACID | N | 1MMJ | 0.73 | |
51U | D-phenylalanyl-N-(3-methylbenzyl)- L-prolinamide | H,I | 2ZF0 | 0.71 | |
F20 | N-BENZOYL-L-PHENYLALANYL-4-[(5S)- 1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN- 5-YL]-L-PHENYLALANINAMIDE | A | 2CMA | 0.78 | |
MUW | N-{(5S)-5-[{[4-(AMINOMETHYL)PHENYL]SULFONYL}(ISOBUTYL)AMINO]- 6-HYDROXYHEXYL}-NALPHA-(METHOXYCARBONYL)- BETA-PHENYL-L-PHENYLALANINAMIDE | A,B | 2Q3K | 0.7 | |
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 | 0.77 | |
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 | 0.77 | |
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 | 0.74 | |
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 | 0.74 | |
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 | 0.74 | |
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 | 0.74 | |
TPI | 4-CARBAMOYL-4-{[6-(DIFLUORO-PHOSPHONO- METHYL)-NAPHTHALENE-2-CARBONYL]- AMINO}-BUTYRIC ACID | A | 1BZC | 0.71 | |
853 | 5-[2-ACETYLAMINO-2-(1-BIPHENYL- 4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)- ETHYL]-2-CARBOXYMETHYL-BENZOIC ACID | A | 1O48 | 0.73 | |
G4G | 4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDE | B | 2R38 | 0.72 | |
G4G | 4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDE | A,B | 2PWR | 0.72 | |
G4G | 4,4'-{(3S,4S)-PYRROLIDINE-3,4-DIYLBIS[(BENZYLIMINO)SULFONYL]}DIBENZAMIDE | B | 2R3T | 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 | 2RDD | 0.77 | |
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 | 0.77 | |
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 | 0.77 | |
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 | 0.77 | |
SOX | N-[(2S,4S,6R)-2-(DIHYDROXYMETHYL)- 4-HYDROXY-3,3-DIMETHYL-7-OXO-4LAMBDA~4~- THIA-1-AZABICYCLO[3.2.0]HEPT-6- YL]-2-PHENYLACETAMIDE | B | 1GM8 | 0.75 | |
SOX | N-[(2S,4S,6R)-2-(DIHYDROXYMETHYL)- 4-HYDROXY-3,3-DIMETHYL-7-OXO-4LAMBDA~4~- THIA-1-AZABICYCLO[3.2.0]HEPT-6- YL]-2-PHENYLACETAMIDE | A,B | 1GM9 | 0.75 | |
G26 | 2-(BENZYLCARBAMOYL-PHENYLACETYLAMINO- METHYL)-5,5-DIMETHYL-THIAZOLIDINE- 4-CARBOXYLIC ACID (HYDROXYMETHYL- 2-PHENYLETHYL)AMIDE | A,B | 1HTF | 0.78 | |
3CY | (3S)-3-[({(2S)-5-[(N-ACETYL-L-ALPHA- ASPARTYL)AMINO]-4-OXO-1,2,4,5,6,7- HEXAHYDROAZEPINO[3,2,1-HI]INDOL- 2-YL}CARBONYL)AMINO]-5-(BENZYLSULFANYL)- 4-OXOPENTANOIC ACID | A | 1RHU | 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 | 0.71 | |
PNM | OPEN FORM - PENICILLIN G | A | 1GHP | 0.76 | |
PNM | OPEN FORM - PENICILLIN G | A | 1PWC | 0.76 | |
PNM | OPEN FORM - PENICILLIN G | A | 1IYQ | 0.76 | |
PNM | OPEN FORM - PENICILLIN G | A | 1FQG | 0.76 | |
PNM | OPEN FORM - PENICILLIN G | A,B,C,D | 2J8Y | 0.76 | |
PNM | OPEN FORM - PENICILLIN G | A,B,C,D | 2JBF | 0.76 | |
PNM | OPEN FORM - PENICILLIN G | A | 2EX8 | 0.76 | |
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 | |
TIN | A,B | 1N94 | 0.85 | ||
BGD | N-BENZOYL-L-GLUTAMYL-[4-PHOSPHONO(DIFLUOROMETHYL)]- L-PHENYLALANINE-[4-PHOSPHONO(DIFLUORO- METHYL)]-L-PHENYLALANINEAMIDE | A,B,C,D | 1LQF | 0.71 | |
197 | 4-[2-ACETYLAMINO-2-(1-BIPHENYL- 4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)- ETHYL]-2-FORMYL-BENZOIC ACID | A | 1O4A | 0.73 | |
53U | D-phenylalanyl-N-benzyl-L-prolinamide | H,I | 2ZFF | 0.71 | |
GSB | S-BENZYL-GLUTATHIONE | A,B,C,D | 1FRO | 0.72 | |
GSB | S-BENZYL-GLUTATHIONE | A,B,C,D | 1GUH | 0.72 | |
BM5 | (R)-(+) 5(9BH)-OXO-9B-PHENYL-2,3- DIHYDROTHIAZOLO[2,3-A]ISOINDOL- 3-CARBOXYLIC ACID METHYL ESTER | A | 1C0U | 0.79 | |
KAF | N-{(5S)-4,4-dihydroxy-6-phenyl- 5-[(phenylcarbonyl)amino]hexanoyl}- L-phenylalanine | A | 3BKK | 0.77 | |
OIR | N-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINE | A | 1R1J | 0.76 | |
BM1 | (R)-(+)9B-(3-METHYL)PHENYL-2,3- DIHYDROTHIAZOLO[2,3-A]ISOINDOL- 5(9BH)-ONE | A | 1C0T | 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 | 0.72 | |
TR1 | 2-(2-{2-[(BIPHENYL-4-YLMETHYL)- AMINO]-3-MERCAPTO-PENTANOYLAMINO}- ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER | A,B | 1C8T | 0.73 | |
TR1 | 2-(2-{2-[(BIPHENYL-4-YLMETHYL)- AMINO]-3-MERCAPTO-PENTANOYLAMINO}- ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER | A,B | 1C3I | 0.73 | |
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 | 0.71 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B,C,D | 1SN9 | 0.73 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B | 1SNE | 0.73 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B,C,D | 1SNA | 0.73 | |
DBZ | 3-(BENZOYLAMINO)-L-ALANINE | A,B | 1XOF | 0.73 | |
QN1 | 4,4'-[(3S,4S)-pyrrolidine-3,4-diylbis({[4- (trifluoromethyl)benzyl]imino}sulfonyl)]dibenzamide | A,B | 2QNN | 0.7 | |
L04 | A | 1HFS | 0.76 | ||
IBG | GAMMA-GLUTAMYL[S-(2-IODOBENZYL)CYSTEINYL]GLYCINE | A | 1M9B | 0.7 | |
S2D | N-BENZOYL-D-ALANINE | A,B | 2JCI | 0.73 | |
4DP | 3-[5-(DIMETHYLAMINO)-1,3-DIOXO- 1,3-DIHYDRO-2H-ISOINDOL-2-YL]-L- ALANINE | C | 2IPK | 0.73 | |
GBI | S-(3-IODOBENZYL)GLUTATHIONE | A | 2GSQ | 0.7 | |
VG3 | N-[(1S,2R)-1-benzyl-3-{[(1S)-2- (cyclohexylamino)-1-methyl-2-oxoethyl]amino}- 2-hydroxypropyl]-3-(pentylsulfonyl)benzamide | A | 2VIY | 0.75 | |
TP3 | 4-[[GLUTAMIC ACID]-CARBONYL]-BENZENE- SULFONYL-D-PROLINE | A,B | 1F4F | 0.71 | |
B15 | [2,2'-({4-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]BENZYL}IMINO)DIACETATO(2- )-KAPPAO]COPPER | A | 2FOQ | 0.71 | |
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 | 0.71 | |
BAY | B | 1VIK | 0.7 | ||
BAY | A | 1VIJ | 0.7 |