Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01971484
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 |
588 | 2-{[2-(2-CARBAMOYL-VINYL)-4-(2- METHANESULFONYLAMINO-2-PENTYLCARBAMOYL- ETHYL)-PHENYL]-OXALYL-AMINO}-BENZOIC ACID | A | 1ONY | 0.75 | |
JPC | 3-[(2,4-DICHLOROBENZOYL)(ISOPROPYL)AMINO]- 5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID | A | 1YVZ | 0.76 | |
452 | 2-{[N-(2-ACETYL-5-CHLORO-4-FLUOROPHENYL)GLYCYL]AMINO}BENZOIC ACID | A,B | 2QE2 | 0.73 | |
738 | N-(3-cyano-4,5,6,7-tetrahydro-1- benzothien-2-yl)-2-fluorobenzamide | A | 2O2U | 0.73 | |
K01 | N,N-DIETHYL-2-[(2-THIENYLCARBONYL)AMINO]- 4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE- 3-CARBOXAMIDE | A,B | 2PG2 | 0.76 | |
COL | 2-(OXALYL-AMINO)-4,7-DIHYDRO-5H- THIENO[2,3-C]THIOPYRAN-3-CARBOXYLIC ACID | A | 1GFY | 0.77 | |
DY6 | 2-({[3-(3,4-dihydroisoquinolin- 2(1H)-ylsulfonyl)phenyl]carbonyl}amino)benzoic acid | A,B | 3DY6 | 0.74 | |
BJP | (1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID | A | 1ERO | 0.72 | |
OPA | 2-(OXALYL-AMINO)-4,7-DIHYDRO-5H- THIENO[2,3-C]PYRAN-3-CARBOXYLIC ACID | A | 1C87 | 0.73 | |
OPA | 2-(OXALYL-AMINO)-4,7-DIHYDRO-5H- THIENO[2,3-C]PYRAN-3-CARBOXYLIC ACID | A | 1C86 | 0.73 | |
K03 | N,N-DIETHYL-5,5-DIMETHYL-2-[(2- THIENYLCARBONYL)AMINO]-4,5,6,7- TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE | A,B | 2UYM | 0.75 | |
OTA | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO- THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID | A | 1C88 | 0.8 | |
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 | |
UN7 | 3-[3-(3(S)-METHYLCARBAMOYL-7-SULFOAMINO- 3,4,-DIHYDRO-1H-ISOQUINOLIN-2-YL)- 3-OXO-PROPYL]-BENZOIC ACID | A | 2F71 | 0.72 | |
K02 | (5R)-N,N-DIETHYL-5-METHYL-2-[(THIOPHEN- 2-YLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO- 1-BENZOTHIOPHENE-3-CARBOXAMIDE | A,B | 2UYI | 0.75 | |
AJH | 4-({4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]- 1,4-diazepan-1-yl}carbonyl)benzoic acid | A,B | 3EIO | 0.7 | |
PF3 | (2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]- THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID | A,B | 1UTZ | 0.71 | |
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 | 0.7 | |
NN3 | 3-{ISOPROPYL[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]AMINO}- 5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID | A,B | 2GIR | 0.82 | |
989 | 2-{[4-(2-ACETYLAMINO-2-PENTYLCARBAMOYL- ETHYL)-NAPHTHALEN-1-YL]-OXALYL- AMINO}-BENZOIC ACID | A | 1NL9 | 0.74 | |
C0M | N-{3-CYANO-6-[3-(1-PIPERIDINYL)PROPANOYL]- 4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDIN- 2-YL}1-NAPHTHALENECARBOXAMIDE | A | 2O0U | 0.72 | |
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 | |
072 | (+/-)(2S,5S)-3-(4-(4-CARBOXYPHENYL)BUTYL)- 2-HEPTYL-4-OXO-5-THIAZOLIDINE | A,B,C,D | 4PRG | 0.72 | |
AXX | 2-[(CYCLOPROPYLCARBONYL)AMINO]- 4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE- 3-CARBOXAMIDE | A,B | 2PZI | 0.73 | |
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 | 0.8 | |
3B4 | 2-(cyclohexylamino)benzoic acid | A,B | 3B4P | 0.73 | |
CCT | 5-(4-CYANOPHENYL)-3-{[(2-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE- 2-CARBOXYLIC ACID | A,B | 2D3U | 0.71 | |
SM4 | (1R)-1-(2-THIOPHEN-2-YL-ACETYLAMINO)- 1-(3-(2-CARBOXYVINYL)-PHENYL) METHYLBORONIC ACID | A,B | 2RCX | 0.73 | |
FIH | 5-(4-FLUOROPHENYL)-3-{[(4-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE- 2-CARBOXYLIC ACID | A,B | 2D3Z | 0.72 | |
761 | 3-(OXALYL-AMINO)-NAPHTHALENE-2- CARBOXYLIC ACID | A | 1C84 | 0.71 | |
853 | 5-[2-ACETYLAMINO-2-(1-BIPHENYL- 4-YLMETHYL-2-OXO-AZEPAN-3-YLCARBAMOYL)- ETHYL]-2-CARBOXYMETHYL-BENZOIC ACID | A | 1O48 | 0.7 | |
D16 | TOMUDEX | A,B | 1I00 | 0.71 | |
D16 | TOMUDEX | A,B | 2KCE | 0.71 | |
D16 | TOMUDEX | A,B,C,D | 2TSR | 0.71 | |
D16 | TOMUDEX | A,B,C,D | 1HVY | 0.71 | |
D16 | TOMUDEX | A,B | 1RTS | 0.71 | |
DBD | 7-(1,1-DIOXO-1H-BENZO[D]ISOTHIAZOL- 3-YLOXYMETHYL)-2-(OXALYL-AMINO)- 4,7-DIHYDRO-5H-THIENO[2,3-C]PYRAN- 3-CARBOXYLIC ACID | A | 1L8G | 0.71 | |
OBA | 2-(OXALYL-AMINO)-BENZOIC ACID | A | 1C85 | 0.71 | |
901 | 2-[(4-{2-ACETYLAMINO-2-[4-(1-CARBOXY- 3-METHYLSULFANYL-PROPYLCARBAMOYL)- BUTYLCARBAMOYL]-ETHYL}-2-ETHYL- PHENYL)-OXALYL-AMINO]-BENZOIC ACID | A | 1NZ7 | 0.78 | |
RAC | 4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)- BENZOIC ACID | H | 1MEX | 0.71 | |
2T1 | 2-[({4-[2-(trifluoromethyl)phenyl]piperidin- 1-yl}carbonyl)amino]benzoic acid | A,B | 3FMZ | 0.72 | |
G23 | (2R,4S)-2-[(R)-BENZYLCARBAMOYL- PHENYLACETYL-METHYL]-5,5-DIMETHYL- THIAZOLIDINE-4-CARBOXYLIC ACID | A | 1HTE | 0.72 | |
SM2 | (1R)-1-(2-THIENYLACETYLAMINO)-1- (3-CARBOXYPHENYL)METHYLBORONIC ACID | A,B | 1PI5 | 0.78 | |
SM2 | (1R)-1-(2-THIENYLACETYLAMINO)-1- (3-CARBOXYPHENYL)METHYLBORONIC ACID | A | 1NXY | 0.78 | |
SM2 | (1R)-1-(2-THIENYLACETYLAMINO)-1- (3-CARBOXYPHENYL)METHYLBORONIC ACID | A,B | 1MXO | 0.78 | |
SM2 | (1R)-1-(2-THIENYLACETYLAMINO)-1- (3-CARBOXYPHENYL)METHYLBORONIC ACID | A,B | 1YM1 | 0.78 | |
IPC | 3-[ISOPROPYL(4-METHYLBENZOYL)AMINO]- 5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID | A | 1YVX | 0.81 | |
C9P | 4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen- 2-yl]sulfonyl}amino)benzoic acid | A,B | 3BM6 | 0.71 |