Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02188121
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 |
EAL | 1-((2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO}PROPANOYL)- L-PROLINE | A | 1UZE | 0.71 | |
PNN | PENICILLIN G | A,B | 1GM7 | 0.89 | |
PNN | PENICILLIN G | B | 1FXV | 0.89 | |
PNN | PENICILLIN G | A | 1UOF | 0.89 | |
PNN | PENICILLIN G | A | 1UOB | 0.89 | |
BM5 | (R)-(+) 5(9BH)-OXO-9B-PHENYL-2,3- DIHYDROTHIAZOLO[2,3-A]ISOINDOL- 3-CARBOXYLIC ACID METHYL ESTER | A | 1C0U | 0.7 | |
T29 | TRI166 (BIFUNCTIONAL BORONATE INHIBITOR) | H | 1A3B | 0.74 | |
C4P | N-[(1R)-2-(BENZYLSULFANYL)-1-FORMYLETHYL]- N-(MORPHOLIN-4-YLCARBONYL)-L-PHENYLALANINAMIDE | A | 1NQC | 0.75 | |
53U | D-phenylalanyl-N-benzyl-L-prolinamide | H,I | 2ZFF | 0.7 | |
AZL | 1-ETHOXYCARBONYL-D-PHE-PRO-2(4- AMINOBUTYL)HYDRAZINE | H,I | 1AE8 | 0.7 | |
G23 | (2R,4S)-2-[(R)-BENZYLCARBAMOYL- PHENYLACETYL-METHYL]-5,5-DIMETHYL- THIAZOLIDINE-4-CARBOXYLIC ACID | A | 1HTE | 0.83 | |
VS1 | 3-[[N-[MORPHOLIN-N-YL]-CARBONYL]- PHENYLALANINYL-AMINO]-5- PHENYL- PENTANE-1-SULFONYLBENZENE | A | 2P86 | 0.7 | |
VS1 | 3-[[N-[MORPHOLIN-N-YL]-CARBONYL]- PHENYLALANINYL-AMINO]-5- PHENYL- PENTANE-1-SULFONYLBENZENE | A,B,C | 1F29 | 0.7 | |
TI1 | [2(R,S)-2-SULFANYLHEPTANOYL]-PHE- ALA | A | 1R1I | 0.75 | |
TI1 | [2(R,S)-2-SULFANYLHEPTANOYL]-PHE- ALA | A | 1QF1 | 0.75 | |
PME | N-L-ALPHA-ASPARTYL L-PHENYLALANINE 1- METHYL ESTER | H,L | 1A8J | 0.71 | |
LPR | [N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]- L-LYSYL-L-PROLINE | A,B | 1J36 | 0.71 | |
LPR | [N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]- L-LYSYL-L-PROLINE | A,B | 2C6N | 0.71 | |
LPR | [N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]- L-LYSYL-L-PROLINE | A | 1O86 | 0.71 | |
IBG | GAMMA-GLUTAMYL[S-(2-IODOBENZYL)CYSTEINYL]GLYCINE | A | 1M9B | 0.71 | |
TI3 | [(2S)-2-SULFANYL-3-PHENYLPROPANOYL]- GLY-(5-PHENYLPROLINE) | A | 1QF2 | 0.73 | |
SUB | 3-PHENYL-2-{[4-(TOLUENE-4-SULFONYL)- THIOMORPHOLINE-3-CARBONYL]-AMINO}- PROPIONIC ACID ETHYL ESTER | A | 1J4H | 0.74 | |
DI4 | AC-(D)PHE-PRO-BOROHOMOLYS-OH | H | 1LHF | 0.7 | |
NFN | 6-[[(2-ETHOXY-1-NAPHTHALENYL)CARBONYL]AMINO]- 3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE- 2-CARBOXYLATE | A | 1T9W | 0.7 | |
OIR | N-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINE | A | 1R1J | 0.74 | |
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 | 0.87 | |
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 | 0.87 | |
GBI | S-(3-IODOBENZYL)GLUTATHIONE | A | 2GSQ | 0.71 | |
PNM | OPEN FORM - PENICILLIN G | A | 1GHP | 0.84 | |
PNM | OPEN FORM - PENICILLIN G | A | 1PWC | 0.84 | |
PNM | OPEN FORM - PENICILLIN G | A | 1IYQ | 0.84 | |
PNM | OPEN FORM - PENICILLIN G | A | 1FQG | 0.84 | |
PNM | OPEN FORM - PENICILLIN G | A,B,C,D | 2J8Y | 0.84 | |
PNM | OPEN FORM - PENICILLIN G | A,B,C,D | 2JBF | 0.84 | |
PNM | OPEN FORM - PENICILLIN G | A | 2EX8 | 0.84 | |
U15 | METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY- 3-(4-METHYLPHENYL)PROPANOYL]-D- ALANYL-D-LEUCINATE | A | 2GG8 | 0.71 | |
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 | 0.91 | |
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 | 0.91 | |
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 | 0.72 | |
DI2 | AC-(D)PHE-PRO-BOROLYS-OH | H | 1LHD | 0.7 | |
78A | N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN- 2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINE | A | 2DCD | 0.7 | |
DI5 | AC-(D)PHE-PRO-BOROHOMOORNITHINE- OH | H | 1LHG | 0.71 | |
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 | 0.91 | |
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 | 0.91 | |
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 | 0.91 | |
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 | 0.91 | |
UNH | ({1-[1-CARBAMOYL-PHENYL-METHYL)- CARBAMOYL]-METHYL}-AMINOOXALYL)- BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)- CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER | A,C | 2A4G | 0.71 | |
C1P | N~2~-(MORPHOLIN-4-YLCARBONYL)-N~1~- [(1S,2E)-1-(2-PHENYLETHYL)-3-(PHENYLSULFONYL)PROP- 2-ENYL]-D-LEUCINAMIDE | A,B,C,D | 3BWK | 0.7 | |
C1P | N~2~-(MORPHOLIN-4-YLCARBONYL)-N~1~- [(1S,2E)-1-(2-PHENYLETHYL)-3-(PHENYLSULFONYL)PROP- 2-ENYL]-D-LEUCINAMIDE | A,B | 1NPZ | 0.7 | |
GAN | 2-[3-BENZYL-5-(1-ALANYL-AMINOETHYL)- 2,3,6,7-TETRAHYDRO-1H-AZEPIN-1- YL]-1-OXOPROPYL-VALINYL-VALINE- METHYLESTER | A | 1HBV | 0.72 | |
GSB | S-BENZYL-GLUTATHIONE | A,B,C,D | 1FRO | 0.72 | |
GSB | S-BENZYL-GLUTATHIONE | A,B,C,D | 1GUH | 0.72 | |
U16 | METHYL N-[(2S,3R)-3-AMINO-2-HYDROXY- 3-(4-ISOPROPYLPHENYL)PROPANOYL]- D-ALANYL-D-LEUCINATE | A | 2GG9 | 0.71 | |
G26 | 2-(BENZYLCARBAMOYL-PHENYLACETYLAMINO- METHYL)-5,5-DIMETHYL-THIAZOLIDINE- 4-CARBOXYLIC ACID (HYDROXYMETHYL- 2-PHENYLETHYL)AMIDE | A,B | 1HTF | 0.77 | |
TR1 | 2-(2-{2-[(BIPHENYL-4-YLMETHYL)- AMINO]-3-MERCAPTO-PENTANOYLAMINO}- ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER | A,B | 1C8T | 0.75 | |
TR1 | 2-(2-{2-[(BIPHENYL-4-YLMETHYL)- AMINO]-3-MERCAPTO-PENTANOYLAMINO}- ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER | A,B | 1C3I | 0.75 | |
PG1 | PENICILLIN G ACYL-SERINE | A,B | 1XA7 | 0.87 | |
PG1 | PENICILLIN G ACYL-SERINE | A | 2IWC | 0.87 | |
PG1 | PENICILLIN G ACYL-SERINE | A,B | 1MWT | 0.87 | |
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 | 0.7 | |
TIN | A,B | 1N94 | 0.7 | ||
U11 | METHYL N-{(2S,3R)-3-AMINO-2-HYDROXY- 3-[4-(TRIFLUOROMETHYL)PHENYL]PROPANOYL}ALANYLGLYCINATE | A | 2GG0 | 0.7 | |
AXL | 2-{1-[2-AMINO-2-(4-HYDROXY-PHENYL)- ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL- THIAZOLIDINE-4-CARBOXYLIC ACID | B | 1LL9 | 0.75 | |
TZT | SOBLIDOTIN | A,B,C,D | 3E22 | 0.71 | |
MYP | 4-MORPHOLIN-4-YL-PIPERIDINE-1-CARBOXYLIC ACID [1- (3-BENZENESULFONYL-1-PROPYL-ALLYLCARBAMOYL)- 2-PHENYLETHYL]-AMIDE | A,B | 1M6D | 0.7 | |
51U | D-phenylalanyl-N-(3-methylbenzyl)- L-prolinamide | H,I | 2ZF0 | 0.7 | |
739 | 2(S)-{2(S)-[2(R)-AMINO-3-MERCAPTO]PROPYLAMINO- 3(S)-METHYL}PENTYLOXY-3-PHENYLPROPIONYLMETHIONINE SULFONE | A,B | 1JCQ | 0.72 |