Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02932418
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 |
S2D | N-BENZOYL-D-ALANINE | A,B | 2JCI | 0.71 | |
ING | D-[(AMINO)CARBONYL]PHENYLALANINE | A,B | 1UF8 | 0.7 | |
ING | D-[(AMINO)CARBONYL]PHENYLALANINE | A,B,D,E | 1HDU | 0.7 | |
IOA | 4-(AMINOSULFONYL)-N-[(2,5-DIFLUOROPHENYL)METHYL]- BENZAMIDE | A | 1I9N | 0.74 | |
F6B | N-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL- BENZAMIDE | A | 1G48 | 0.74 | |
F6B | N-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL- BENZAMIDE | A | 1G53 | 0.74 | |
SMF | 4-SULFOMETHYL-L-PHENYLALANINE | D,H | 1O0D | 0.77 | |
SMF | 4-SULFOMETHYL-L-PHENYLALANINE | D,H | 2FES | 0.77 | |
SMF | 4-SULFOMETHYL-L-PHENYLALANINE | H,P | 2ANK | 0.77 | |
SMF | 4-SULFOMETHYL-L-PHENYLALANINE | D,H | 2FEQ | 0.77 | |
SMF | 4-SULFOMETHYL-L-PHENYLALANINE | H,P | 2A2X | 0.77 | |
SMF | 4-SULFOMETHYL-L-PHENYLALANINE | D,H | 1NZQ | 0.77 | |
UN6 | (3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]- METHYL}-PHENYL)-SULFAMIC ACID | A | 2F70 | 0.74 | |
DI4 | AC-(D)PHE-PRO-BOROHOMOLYS-OH | H | 1LHF | 0.75 | |
F20 | N-BENZOYL-L-PHENYLALANYL-4-[(5S)- 1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN- 5-YL]-L-PHENYLALANINAMIDE | A | 2CMA | 0.74 | |
APE | (1-AMINO-2-PHENYL-ETHYL)-CARBAMIC ACID | E,I | 1SCN | 0.71 | |
INF | D-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINE | A | 1HDQ | 0.7 | |
DMX | 3-[BENZYL(DIMETHYL)AMMONIO]PROPANE- 1-SULFONATE | A,B,C,D | 1TP7 | 0.72 | |
IPP | (P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACID | A,B | 1BLS | 0.78 | |
T29 | TRI166 (BIFUNCTIONAL BORONATE INHIBITOR) | H | 1A3B | 0.73 | |
IOF | 4-(AMINOSULFONYL)-N-[(3,4,5-TRIFLUOROPHENYL)METHYL]- BENZAMIDE | A | 1I9Q | 0.74 | |
HIN | (2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL- CHLOROETHYLKETONE | B | 2GMT | 0.71 | |
DI2 | AC-(D)PHE-PRO-BOROLYS-OH | H | 1LHD | 0.75 | |
5FH | (5S)-5-benzylimidazolidine-2,4- dione | A | 2JLO | 0.73 | |
M25 | N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE | A,B | 2NMX | 0.81 | |
M25 | N-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}ACETAMIDE | A | 2NNS | 0.81 | |
SRD | D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 4VGC | 0.73 | |
IPO | PARA-IODO-D-PHENYLALANINE HYDROXAMIC ACID | A | 1IGB | 0.72 | |
RRT | (R)-RETRO-THIORPHAN | E | 1Z9G | 0.77 | |
DI5 | AC-(D)PHE-PRO-BOROHOMOORNITHINE- OH | H | 1LHG | 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 | B | 1GM8 | 0.71 | |
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 | 0.71 | |
BR4 | 6-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)- HEXANOIC ACID | A | 1KQU | 0.71 | |
JNH | 1-[2-(S)-AMINO-3-BIPHENYL-4-YL- PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE | I,J | 2AJL | 0.71 | |
V35 | D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID | B,C | 2VGC | 0.74 | |
PHM | PHENYLALANYLMETHANE | A,I | 1PJP | 0.71 | |
PHM | PHENYLALANYLMETHANE | A,B,C | 2J9J | 0.71 | |
PHM | PHENYLALANYLMETHANE | A,B,C | 2JE4 | 0.71 | |
EOA | N-PHENETHYL-FORMAMIDE | H,I | 1A5G | 0.74 | |
44U | beta-phenyl-D-phenylalanyl-N-propyl- L-prolinamide | B,D | 3DA9 | 0.71 | |
TIO | (2-MERCAPTOMETHYL-3-PHENYL-PROPIONYL)- GLYCINE | E | 1ZDP | 0.81 | |
PSS | ETHYLAMINOBENZYLMETHYLCARBONYL GROUP | A | 1EAG | 0.74 | |
SAB | 4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDE | A | 1OKM | 0.79 | |
BJI | 1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID | A | 1ERM | 0.71 | |
TP2 | N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL | A,B | 1F4D | 0.75 | |
TP2 | N-[TOSYL-D-PROLINYL]AMINO-ETHANETHIOL | A,B | 1F4C | 0.75 | |
B15 | [2,2'-({4-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]BENZYL}IMINO)DIACETATO(2- )-KAPPAO]COPPER | A | 2FOQ | 0.7 | |
PLH | METHYLAMINO-PHENYLALANYL-LEUCYL- HYDROXAMIC ACID | A | 1HFC | 0.75 | |
PLH | METHYLAMINO-PHENYLALANYL-LEUCYL- HYDROXAMIC ACID | A | 1MNC | 0.75 | |
ZYX | 4-(2-AMINOETHYL)BENZENESULFONAMIDE | A | 2NNG | 0.7 | |
FAF | 2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1- FORMYL-2-PHENYL-ETHYL)-AMIDE | B,C | 1GGD | 0.74 | |
FPA | 1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDE | E,I | 4EST | 0.76 | |
IOE | 4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]- BENZAMIDE | A | 1I9P | 0.74 | |
SRB | L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID | B,C | 3VGC | 0.73 | |
SP8 | N-{(1S)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNS | 0.73 | |
KEL | N-[(2R)-2-benzyl-4-(hydroxyamino)- 4-oxobutanoyl]-L-alanine | X | 3B7U | 0.71 | |
TI1 | [2(R,S)-2-SULFANYLHEPTANOYL]-PHE- ALA | A | 1R1I | 0.78 | |
TI1 | [2(R,S)-2-SULFANYLHEPTANOYL]-PHE- ALA | A | 1QF1 | 0.78 | |
IOC | 4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOROPHENYL)METHYL]- BENZAMIDE | A | 1I9O | 0.74 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | A,B | 3B2Q | 0.72 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | O,P,Q,R | 2B4T | 0.72 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | O,P,Q,R | 2B4R | 0.72 | |
AES | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE | A,B | 3EIU | 0.72 | |
D1R | NALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]- N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}- L-PHENYLALANINAMIDE | A | 2P7U | 0.7 | |
D1R | NALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]- N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}- L-PHENYLALANINAMIDE | A,C | 2OZ2 | 0.7 | |
F2B | N-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL- BENZAMIDE | A | 1G46 | 0.74 | |
F2B | N-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL- BENZAMIDE | A | 1G52 | 0.74 | |
INV | 4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]- BENZAMIDE | A | 1I9L | 0.75 | |
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 | |
B30 | {2,2'-[(2-{[4-(AMINOSULFONYL)BENZOYL]AMINO}ETHYL)IMINO]DIACETATO(2- )-KAPPAO}COPPER | A | 2FOV | 0.72 | |
B30 | {2,2'-[(2-{[4-(AMINOSULFONYL)BENZOYL]AMINO}ETHYL)IMINO]DIACETATO(2- )-KAPPAO}COPPER | A,B | 2FOY | 0.72 | |
NPG | N-SUCCINYL PHENYLGLYCINE | A,B,C,D | 1SJD | 0.7 | |
53U | D-phenylalanyl-N-benzyl-L-prolinamide | H,I | 2ZFF | 0.71 | |
INW | 4-(AMINOSULFONYL)-N-[(2,4-DIFLUOROPHENYL)METHYL]- BENZAMIDE | A | 1I9M | 0.74 | |
OIR | N-(3-PHENYL-2-SULFANYLPROPANOYL)PHENYLALANYLALANINE | A | 1R1J | 0.76 | |
SM3 | (1R)-1-(2-THIENYLACETYLAMINO)-1- PHENYLMETHYLBORONIC ACID | A,B | 1PI4 | 0.75 | |
SM3 | (1R)-1-(2-THIENYLACETYLAMINO)-1- PHENYLMETHYLBORONIC ACID | A,B | 2FFY | 0.75 | |
SM3 | (1R)-1-(2-THIENYLACETYLAMINO)-1- PHENYLMETHYLBORONIC ACID | A,B | 1MY8 | 0.75 | |
APF | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | B,C | 1GG6 | 0.77 | |
APF | 1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN- 2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE) | G | 6GCH | 0.77 | |
SP9 | N-{(1R)-3-[(4-aminobutyl)amino]- 1-methylpropyl}benzamide | A,B | 3CNT | 0.73 | |
EG2 | AMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDE | A | 1CNX | 0.74 | |
F1H | N-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamide | A | 2ZJH | 0.74 | |
LHY | L-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINE | A,B,D,E | 1HEE | 0.7 | |
BSB | N-BENZYL-4-SULFAMOYL-BENZAMIDE | A | 1G4O | 0.77 | |
FSB | N-(2-FLOURO-BENZYL)-4-SULFAMOYL- BENZAMIDE | A | 1G45 | 0.75 | |
FSB | N-(2-FLOURO-BENZYL)-4-SULFAMOYL- BENZAMIDE | A | 1G1D | 0.75 | |
3CC | N-[(2R)-5-(aminosulfonyl)-2,3-dihydro- 1H-inden-2-yl]-2-propylpentanamide | A | 2QO8 | 0.75 | |
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 | 0.73 | |
NDF | N-(CARBOXYCARBONYL)-D-PHENYLALANINE | A | 1YCI | 0.74 | |
RA8 | N-(BENZYLSULFONYL)-L-LEUCYL-N-(4- {[AMINO(IMINO)METHYL]AMINO}BUTYL)- L-PROLINAMIDE | H,I | 1YPL | 0.72 | |
565 | (3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]- 3-METHYL-1,4-DIAZEPAN-2-ONE | A,B | 2IIV | 0.7 | |
DHQ | 3,4-DIHYDRO-5-METHYL-ISOQUINOLINONE | A | 1PAX | 0.71 | |
EG1 | AMINOMETHYLENECARBONYLAMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDE | A | 1CNW | 0.71 | |
BSA | 2-(BENZOYLAMINO)ETHANESULFONIC ACID | A | 1YQS | 0.91 | |
FFB | N-(2,3,4,5,6-PENTAFLOURO-BENZYL)- 4-SULFAMOYL-BENZAMIDE | A | 1G4J | 0.74 | |
FFB | N-(2,3,4,5,6-PENTAFLOURO-BENZYL)- 4-SULFAMOYL-BENZAMIDE | A | 1G54 | 0.74 | |
STB | 4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUTANE)]BENZAMIDE | A | 1OKN | 0.79 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2BTJ | 0.74 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D,E,F | 2EFX | 0.74 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2VVJ | 0.74 | |
NFA | PHENYLALANINE AMIDE | A | 2A4O | 0.74 | |
NFA | PHENYLALANINE AMIDE | A,B | 1XAE | 0.74 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2OGR | 0.74 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 1QA7 | 0.74 | |
NFA | PHENYLALANINE AMIDE | A,B,C,D | 2GW4 | 0.74 | |
256 | PHENYL(SULFO)ACETIC ACID | A | 1O4Q | 0.7 | |
PHA | PHENYLALANINAL | A,B | 1OB2 | 0.7 | |
PHA | PHENYLALANINAL | V,Y,Z | 2WDG | 0.7 | |
PHA | PHENYLALANINAL | V,Y,Z | 2WDK | 0.7 | |
PHA | PHENYLALANINAL | 1,2,4,5,A,B, C,D,E,J,K,L, M,N,O,P,R,S, T,U,V,Z | 1M90 | 0.7 | |
PHA | PHENYLALANINAL | P | 3SGA | 0.7 | |
PHA | PHENYLALANINAL | A,B,C,D,E,F | 1OB5 | 0.7 | |
PHA | PHENYLALANINAL | V,Y,Z | 2WDM | 0.7 | |
PHA | PHENYLALANINAL | 0,2,4,9,A,B, C,H,I,J,K,L, M,N,P,Q,R,S, T,X,Y,Z | 1KQS | 0.7 | |
PHA | PHENYLALANINAL | A,B | 1KDV | 0.7 | |
PHA | PHENYLALANINAL | 1,2,4,5,6,A, B,C,D,E,J,K, L,M,N,O,P,R, S,T,U,V,Z | 1Q86 | 0.7 | |
PHA | PHENYLALANINAL | A,B | 1KDY | 0.7 | |
PHA | PHENYLALANINAL | V,Y,Z | 3FIC | 0.7 | |
PHA | PHENYLALANINAL | V,Y,Z | 2WDH | 0.7 | |
PHA | PHENYLALANINAL | A,B | 1KE2 | 0.7 | |
F17 | N-{[4-(1,1-DIOXIDO-3-OXO-2,3-DIHYDROISOTHIAZOL- 5-YL)PHENYL]ACETYL}-L-PHENYLALANYL- 4-(1,1-DIOXIDO-3-OXO-2,3-DIHYDROISOTHIAZOL- 5-YL)-L-PHENYLALANINAMIDE | A | 2CMB | 0.72 | |
2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 2OUA | 0.74 | |
2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B,C,D | 2AJC | 0.74 | |
2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 3PRO | 0.74 | |
2AB | 4-(2-AMINOETHYL)BENZENESULFONIC ACID | A,B | 2PFE | 0.74 | |
MIN | METHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINE | H,I | 1TOM | 0.71 | |
IZD | ISOTHIAZOLIDINONE ANALOG | A | 2CM7 | 0.8 | |
V36 | L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID | B,C | 1VGC | 0.74 |