Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00127020
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 |
TI1 | [2(R,S)-2-SULFANYLHEPTANOYL]-PHE- ALA | A | 1R1I | 0.74 | |
TI1 | [2(R,S)-2-SULFANYLHEPTANOYL]-PHE- ALA | A | 1QF1 | 0.74 | |
V36 | L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID | B,C | 1VGC | 0.71 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.74 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.74 | |
BAS | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.74 | |
T29 | TRI166 (BIFUNCTIONAL BORONATE INHIBITOR) | H | 1A3B | 0.74 | |
3CC | N-[(2R)-5-(aminosulfonyl)-2,3-dihydro- 1H-inden-2-yl]-2-propylpentanamide | A | 2QO8 | 0.71 | |
F1K | (2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine- 2-carboxamide | A,B,C | 2ZJK | 0.75 | |
SRB | L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 3VGC | 0.72 | |
OIR | N-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINE | A | 1R1J | 0.72 | |
F1J | (2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine- 2-carboxamide | A | 2ZJJ | 0.75 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2BTJ | 0.71 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D,E,F | 2EFX | 0.71 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2VVJ | 0.71 | |
NFA | PHENYLALANINE AMIDE | A | 2A4O | 0.71 | |
NFA | PHENYLALANINE AMIDE | A,B | 1XAE | 0.71 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2OGR | 0.71 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 1QA7 | 0.71 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2GW4 | 0.71 | |
OAP | 4-(S)-[(1-OXO-7-PHENYLHEPTYL)AMINO]- 5-[4-(PHENYLMETHYL)PHENYLTHIO]PENTANOIC ACID | A,B,C,D,E,F | 1KVO | 0.72 | |
CPU | A,B | 1CR6 | 0.74 | ||
RRT | (R)-RETRO-THIORPHAN | E | 1Z9G | 0.77 | |
SRD | D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 4VGC | 0.72 | |
EOA | N-PHENETHYL-FORMAMIDE | H,I | 1A5G | 0.74 | |
FAF | 2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1- FORMYL-2-PHENYL-ETHYL)-AMIDE | B,C | 1GGD | 0.73 | |
SP8 | N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNS | 0.74 | |
F1H | N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide | A | 2ZJH | 0.8 | |
TP2 | N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL | A,B | 1F4D | 0.74 | |
TP2 | N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL | A,B | 1F4C | 0.74 | |
PSS | ETHYLAMINOBENZYLMETHYLCARBONYL GROUP | A | 1EAG | 0.73 | |
BCS | BENZYLCYSTEINE | A,B,G,H | 10GS | 0.79 | |
BCS | BENZYLCYSTEINE | A | 1EH8 | 0.79 | |
DI5 | AC-(D)PHE-PRO-BOROHOMOORNITHINE- OH | H | 1LHG | 0.71 | |
FBD | N-({(1R)-1-carboxy-2-[(4-fluorobenzyl)sulfanyl]ethyl}carbamoyl)- L-glutamic acid | A | 3D7D | 0.71 | |
GBI | S-(3-IODOBENZYL)GLUTATHIONE | A | 2GSQ | 0.73 | |
IBG | GAMMA-GLUTAMYL[S-(2-IODOBENZYL)CYSTEINYL]GLYCINE | A | 1M9B | 0.73 | |
PNM | OPEN FORM - PENICILLIN G | A | 1GHP | 0.71 | |
PNM | OPEN FORM - PENICILLIN G | A | 1PWC | 0.71 | |
PNM | OPEN FORM - PENICILLIN G | A | 1IYQ | 0.71 | |
PNM | OPEN FORM - PENICILLIN G | A | 1FQG | 0.71 | |
PNM | OPEN FORM - PENICILLIN G | A,B,C,D | 2J8Y | 0.71 | |
PNM | OPEN FORM - PENICILLIN G | A,B,C,D | 2JBF | 0.71 | |
PNM | OPEN FORM - PENICILLIN G | A | 2EX8 | 0.71 | |
SM3 | (1R)-1-(2-THIENYLACETYLAMINO)-1- PHENYLMETHYLBORONIC ACID | A,B | 1PI4 | 0.74 | |
SM3 | (1R)-1-(2-THIENYLACETYLAMINO)-1- PHENYLMETHYLBORONIC ACID | A,B | 2FFY | 0.74 | |
SM3 | (1R)-1-(2-THIENYLACETYLAMINO)-1- PHENYLMETHYLBORONIC ACID | A,B | 1MY8 | 0.74 | |
TIO | (2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)- GLYCINE | E | 1ZDP | 0.73 | |
SP9 | N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNT | 0.74 | |
PBB | S-(4-BROMOBENZYL)CYSTEINE | A,B,C,D | 1AQV | 0.71 | |
PLH | METHYLAMINO-PHENYLALANYL-LEUCYL- HYDROXAMIC ACID | A | 1HFC | 0.71 | |
PLH | METHYLAMINO-PHENYLALANYL-LEUCYL- HYDROXAMIC ACID | A | 1MNC | 0.71 | |
IZD | ISOTHIAZOLIDINONE ANALOG | A | 2CM7 | 0.71 | |
LPF | 1,1,1-TRIFLUORO-3-((N-ACETYL)-L- LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N- ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | G | 7GCH | 0.72 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A | 1MEM | 0.71 | |
NFP | 3-AMINO-5-PHENYLPENTANE | A,D,E | 1FH0 | 0.71 | |
MS2 | 2,2-DICHLORO-1-METHANESULFINYL- 3-METHYL-CYCLOPROPANECARBOXYLIC ACID [1- (4-BROMO-PHENYL)-ETHYL]-AMIDE | A,B,C | 6STD | 0.7 | |
V35 | D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID | B,C | 2VGC | 0.71 | |
FPA | 1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE | E,I | 4EST | 0.77 | |
TTX | TENTOXIN | B | 1KMH | 0.72 | |
APL | N-(1-BENZYL-3,3,3-TRIFLUORO-2,2- DIHYDROXY-PROPYL)-ACETAMIDE | B,C | 1GG6 | 0.71 | |
DI4 | AC-(D)PHE-PRO-BOROHOMOLYS-OH | H | 1LHF | 0.71 | |
BNF | N-BENZYLFORMAMIDE | A,B | 1U3U | 0.71 | |
GSB | S-BENZYL-GLUTATHIONE | A,B,C,D | 1FRO | 0.74 | |
GSB | S-BENZYL-GLUTATHIONE | A,B,C,D | 1GUH | 0.74 | |
M25 | N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE | A,B | 2NMX | 0.75 | |
M25 | N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE | A | 2NNS | 0.75 | |
BSA | 2-(BENZOYLAMINO)ETHANESULFONIC ACID | A | 1YQS | 0.7 | |
APF | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | B,C | 1GG6 | 0.74 | |
APF | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | G | 6GCH | 0.74 | |
TST | 4-METHYL-2-{[4-(TOLUENE-4-SULFONYL)- THIOMORPHOLINE-3-CARBONYL]-AMINO}- PENTANOIC ACID | A | 1J4I | 0.7 | |
DI2 | AC-(D)PHE-PRO-BOROLYS-OH | H | 1LHD | 0.71 |