Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02162574
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 | ![]() |
D16![]() | TOMUDEX | A,B | 1I00 | 0.73 | ![]() |
D16![]() | TOMUDEX | A,B | 2KCE | 0.73 | ![]() |
D16![]() | TOMUDEX | A,B,C,D | 2TSR | 0.73 | ![]() |
D16![]() | TOMUDEX | A,B,C,D | 1HVY | 0.73 | ![]() |
D16![]() | TOMUDEX | A,B | 1RTS | 0.73 | ![]() |
KST![]() | N~6~-(5-CARBOXY-3-THIENYL)-L-LYSINE | A | 2QA3 | 0.76 | ![]() |
KST![]() | N~6~-(5-CARBOXY-3-THIENYL)-L-LYSINE | A | 2Q7W | 0.76 | ![]() |
KST![]() | N~6~-(5-CARBOXY-3-THIENYL)-L-LYSINE | A | 2QBT | 0.76 | ![]() |
KST![]() | N~6~-(5-CARBOXY-3-THIENYL)-L-LYSINE | A | 2QB3 | 0.76 | ![]() |
KST![]() | N~6~-(5-CARBOXY-3-THIENYL)-L-LYSINE | A | 2QB2 | 0.76 | ![]() |
588![]() | 2-{[2-(2-CARBAMOYL-VINYL)-4-(2- METHANESULFONYLAMINO-2-PENTYLCARBAMOYL- ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID | A | 1ONY | 0.73 | ![]() |
JPC![]() | 3-[(2,4-DICHLOROBENZOYL)(ISOPROPYL)AMINO]- 5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID | A | 1YVZ | 0.76 | ![]() |
J12![]() | N-{3-[4-(3-AMINO-PROPYL)-PIPERAZIN- 1-YL]-PROPYL}-3-(2-THIOPHEN-2-YL- ACETYLAMINO)-5-(3,4,5-TRIHYDROXY- 6-HYDROXYMETHYL-TETRAHYDRO-PYRAN- 2-YLOXY)-BENZAMIDE | D,E,F,G,H | 1PZK | 0.71 | ![]() |
ST6![]() | 4-(ACETYLAMINO)-3-[(AMINOACETYL)AMINO]BENZOIC ACID | A,B | 1INH | 0.7 | ![]() |
NN3![]() | 3-{ISOPROPYL[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]AMINO}- 5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID | A,B | 2GIR | 0.81 | ![]() |
IBA![]() | 4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)- 5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID | A | 1VCJ | 0.74 | ![]() |
RAC![]() | 4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)- BENZOIC ACID | H | 1MEX | 0.75 | ![]() |
OBA![]() | 2-(OXALYL-AMINO)-BENZOIC ACID | A | 1C85 | 0.74 | ![]() |
ILC![]() | A | 2FPV | 0.74 | ![]() | |
137![]() | 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE | P | 1JCM | 0.71 | ![]() |
137![]() | 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE | A | 1LBM | 0.71 | ![]() |
137![]() | 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE | A | 1LBL | 0.71 | ![]() |
137![]() | 1-(O-CARBOXY-PHENYLAMINO)-1-DEOXY- D-RIBULOSE-5-PHOSPHATE | A | 1LBF | 0.71 | ![]() |
C9P![]() | 4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen- 2-yl]sulfonyl}amino)benzoic acid | A,B | 3BM6 | 0.77 | ![]() |
XIN![]() | methyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin- 1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}- 2-oxo-2,3-dihydro-1H-indole-6-carboxylate | A | 3C7Q | 0.72 | ![]() |
712![]() | 3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)- 5-[METHYL(METHYLSULFONYL)AMINO]BENZYL ALPHA- METHYL-D-PHENYLALANINATE | A | 2PH6 | 0.7 | ![]() |
MRE![]() | 2-(4-DIMETHYLAMINOPHENYL)DIAZENYLBENZOIC ACID | A,B | 2V9C | 0.72 | ![]() |
SNH![]() | A,B | 2D41 | 0.71 | ![]() | |
DN1![]() | 3-({(2S)-2-[({(1R)-1-[({(1R)-1- [(R)-CARBOXY(HYDROXY)METHYL]-3,3- DIFLUOROPROPYL}AMINO)CARBONYL]- 3-METHYLBUTYL}AMINO)CARBONYL]-2,3- DIHYDRO-1H-INDOL-2-YL}METHYL)THIOPHENE- 2-CARBOXYLIC ACID | A,B | 1W3C | 0.76 | ![]() |
RA2![]() | 1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]- 5,5'-DI(HYDROXYMETHYL)PYRROLIDIN- 2-ONE | A | 1B9V | 0.74 | ![]() |
XLC![]() | 3-CHLORO-N-[4-CHLORO-2-[[(4-CHLOROPHENYL)AMINO]CARBONYL]PHENYL]- 4-[(4-METHYL-1-PIPERAZINYL)METHYL]- 2-THIOPHENECARBOXAMIDE | A,L | 1MQ5 | 0.71 | ![]() |
FIH![]() | 5-(4-FLUOROPHENYL)-3-{[(4-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE- 2-CARBOXYLIC ACID | A,B | 2D3Z | 0.71 | ![]() |
PF3![]() | (2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]- THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID | A,B | 1UTZ | 0.71 | ![]() |
989![]() | 2-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL- ETHYL)-NAPHTHALEN-1-YL]-OXALYL- AMINO}-BENZOIC ACID | A | 1NL9 | 0.71 | ![]() |
UC4![]() | 1-METHYL ETHYL 1-CHLORO-5-[[(5,6DIHYDRO- 2-METHYL-1,4-OXATHIIN-3-YL)CARBONYL]AMINO]BENZOATE | A | 1RT7 | 0.71 | ![]() |
RIV![]() | 5-chloro-N-({(5S)-2-oxo-3-[4-(3- oxomorpholin-4-yl)phenyl]-1,3-oxazolidin- 5-yl}methyl)thiophene-2-carboxamide | A | 2W26 | 0.71 | ![]() |
2T1![]() | 2-[({4-[2-(trifluoromethyl)phenyl]piperidin- 1-yl}carbonyl)amino]benzoic acid | A,B | 3FMZ | 0.73 | ![]() |
DN2![]() | 3-({(2S)-2-[({(1S)-1-[({(1S)-1- [(R)-CARBOXY(HYDROXY)METHYL]-3,3- DIFLUOROPROPYL}AMINO)CARBONYL]- 3-METHYLBUTYL}AMINO)CARBONYL]-2,3- DIHYDRO-1H-INDOL-2-YL}METHYL)THIOPHENE- 2-CARBOXYLIC ACID | A,B | 1W3C | 0.76 | ![]() |
IPC![]() | 3-[ISOPROPYL(4-METHYLBENZOYL)AMINO]- 5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID | A | 1YVX | 0.82 | ![]() |
ILF![]() | A | 2FPY | 0.71 | ![]() | |
OTA![]() | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO- THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID | A | 1C88 | 0.7 | ![]() |
OFL![]() | O-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACID | A | 1DVZ | 0.71 | ![]() |
SM2![]() | (1R)-1-(2-THIENYLACETYLAMINO)-1- (3-CARBOXYPHENYL)METHYLBORONIC ACID | A,B | 1PI5 | 0.75 | ![]() |
SM2![]() | (1R)-1-(2-THIENYLACETYLAMINO)-1- (3-CARBOXYPHENYL)METHYLBORONIC ACID | A | 1NXY | 0.75 | ![]() |
SM2![]() | (1R)-1-(2-THIENYLACETYLAMINO)-1- (3-CARBOXYPHENYL)METHYLBORONIC ACID | A,B | 1MXO | 0.75 | ![]() |
SM2![]() | (1R)-1-(2-THIENYLACETYLAMINO)-1- (3-CARBOXYPHENYL)METHYLBORONIC ACID | A,B | 1YM1 | 0.75 | ![]() |
HQC![]() | 3-{6-[(8-HYDROXY-QUINOLINE-2-CARBONYL)- AMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}- 4-OXO-BUTYRI ACID | A | 1RWP | 0.71 | ![]() |
878![]() | 5-IODO-2-(OXALYL-AMINO)-BENZOIC ACID | A | 1ECV | 0.72 | ![]() |
3B4![]() | 2-(cyclohexylamino)benzoic acid | A,B | 3B4P | 0.74 | ![]() |
CCT![]() | 5-(4-CYANOPHENYL)-3-{[(2-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE- 2-CARBOXYLIC ACID | A,B | 2D3U | 0.71 | ![]() |
NC1![]() | NITROCEFIN ACYL-SERINE | A,B | 1MWS | 0.71 | ![]() |
NC1![]() | NITROCEFIN ACYL-SERINE | A | 2UWX | 0.71 | ![]() |
RYU![]() | (2E,3S)-3-HYDROXY-5'-[(4-HYDROXYPIPERIDIN- 1-YL)SULFONYL]-3-METHYL-1,3-DIHYDRO- 2,3'-BIINDOL-2'(1'H)-ONE | A | 2BHH | 0.73 | ![]() |
DY6![]() | 2-({[3-(3,4-dihydroisoquinolin- 2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid | A,B | 3DY6 | 0.76 | ![]() |
UBA![]() | (S)-1-(2-AMINO-2-CARBOXYETHYL)- 3(2-CARBOXYTHIOPHENE-3-YL-METHYL)- 5-METHYLPYRIMIDINE-2,4-DIONE | A,B | 2F34 | 0.7 | ![]() |
UBA![]() | (S)-1-(2-AMINO-2-CARBOXYETHYL)- 3(2-CARBOXYTHIOPHENE-3-YL-METHYL)- 5-METHYLPYRIMIDINE-2,4-DIONE | A,B | 2OJT | 0.7 | ![]() |
UBE![]() | 3-({3-[(2S)-2-amino-2-carboxyethyl]- 5-methyl-2,6-dioxo-3,6-dihydropyrimidin- 1(2H)-yl}methyl)-5-phenylthiophene- 2-carboxylic acid | A,B | 2QS3 | 0.76 | ![]() |
901![]() | 2-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY- 3-METHYLSULFANYL-PROPYLCARBAMOYL)- BUTYLCARBAMOYL]-ETHYL}-2-ETHYL- PHENYL)-OXALYL-AMINO]-BENZOIC ACID | A | 1NZ7 | 0.77 | ![]() |
FLF![]() | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A,B | 1BM7 | 0.72 | ![]() |
FLF![]() | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 1S2C | 0.72 | ![]() |
FLF![]() | 2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID | A | 2PIX | 0.72 | ![]() |
761![]() | 3-(OXALYL-AMINO)-NAPHTHALENE-2- CARBOXYLIC ACID | A | 1C84 | 0.71 | ![]() |
I03![]() | (2S)-2-AMINO-2-BENZYL-3-HYDROXYPROPYL 3- ({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)- 5-[METHYL(METHYLSULFONYL)AMINO]BENZOATE | A | 2IS0 | 0.71 | ![]() |
ST5![]() | 4-(ACETYLAMINO)-3-[(HYDROXYACETYL)AMINO]BENZOIC ACID | A,B | 1ING | 0.71 | ![]() |
RXB![]() | (1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo- 1,2,3,4-tetrahydroisoquinolin-5- yl)amino]ethyl acetate | A,B,C,D | 3DEI | 0.71 | ![]() |
IDB![]() | 3-[5-[(3-CARBOXY-2,4,6-TRIIODO- PHENYL)CARBAMOYL]PENTANOYLAMINO]- 2,4,6-TRIIODO-BENZOIC ACID | A | 2BXN | 0.71 | ![]() |