Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03641180
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 |
LZQ | 4-[3-(dibenzylamino)phenyl]-2,4- dioxobutanoic acid | A | 3EB1 | 0.71 | |
TI3 | [(2S)-2-SULFANYL-3-PHENYLPROPANOYL]- GLY-(5-PHENYLPROLINE) | A | 1QF2 | 0.72 | |
SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | B,H | 1UB5 | 0.78 | |
SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | A,B,H,L | 3CFB | 0.78 | |
SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | B,H | 3CFD | 0.78 | |
SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | A,L | 1FL3 | 0.78 | |
NOX | N-(PARA-GLUTARAMIDOPHENYL-ETHYL)- PIPERIDINIUM-N-OXIDE | L | 35C8 | 0.78 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.72 | |
ZAB | (3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B | 2H3S | 0.7 | |
ZAB | (3-{(Z)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B,C,D | 2H4B | 0.7 | |
DNS | N~6~-{[5-(DIMETHYLAMINO)-1-NAPHTHYL]SULFONYL}- L-LYSINE | H | 1WZ1 | 0.74 | |
TNS | A,B,L | 2G2R | 0.83 | ||
CBL | CHLORAMBUCIL | A,B | 3CSJ | 0.75 | |
L04 | A | 1HFS | 0.73 | ||
EAB | (3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID | A,B | 2H3T | 0.7 | |
XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A,B | 2VJ1 | 0.71 | |
XP1 | 4-(DIMETHYLAMINO)BENZOIC ACID | A | 2V6N | 0.71 | |
EBW | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM | A | 1E3Q | 0.77 | |
009 | (4S)-1,4-dibenzyl-N-[(1S,2R)-1- benzyl-3-{[3-(dimethylamino)benzyl]amino}- 2-hydroxypropyl]-2-oxoimidazolidine- 4-carboxamide | A,B,C | 3CKR | 0.7 | |
GEP | N-METHYL-N-(PARA-GLUTARAMIDOPHENYL- ETHYL)-PIPERIDINIUM ION | L | 25C8 | 0.81 | |
BEP | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | C | 1LXF | 0.73 | |
BEP | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | A | 1DTL | 0.73 | |
DOF | (S)-2-(4-NITROBENZYL)-1,4,7,10- TETRAAZACYCLODODECANE-N,N',N'',N'''- TETRAACETATE | A,B,C,D | 1NC4 | 0.72 | |
AAH | H | 1KEL | 0.73 | ||
AAH | B,H | 1FL6 | 0.73 | ||
GF7 | (3S)-1-(4-acetylphenyl)-5-oxopyrrolidine- 3-carboxylic acid | A | 3GQZ | 0.71 | |
LIZ | N-{(1S,2S)-2-[bis(carboxymethyl)amino]cyclohexyl}- N-{(2R)-2-[bis(carboxymethyl)amino]- 3-[4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamothioyl}amino)phenyl]propyl}glycine | A,B | 3DSZ | 0.72 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY5 | 0.71 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY8 | 0.71 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY9 | 0.71 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XXZ | 0.71 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY4 | 0.71 | |
IAM | 4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINE | A | 1XY6 | 0.71 | |
4DP | 3-[5-(DIMETHYLAMINO)-1,3-DIOXO- 1,3-DIHYDRO-2H-ISOINDOL-2-YL]-L- ALANINE | C | 2IPK | 0.72 | |
VG0 | N-{(1S,2R)-1-benzyl-2-hydroxy-3- [(1,1,5-trimethylhexyl)amino]propyl}- 3-(ethylamino)-5-(2-oxopyrrolidin- 1-yl)benzamide | A | 2VIE | 0.7 | |
MX5 | {1-[4-(3,4-DIHYDROQUINOLIN-1(2H)- YL)-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID | B,I | 2C2Z | 0.72 | |
I84 | [2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)- BENZENESULFONYL]-GLYCINE | A | 1EKO | 0.72 | |
I84 | [2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)- BENZENESULFONYL]-GLYCINE | A | 1EL3 | 0.72 | |
VG7 | N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)- 2-hydroxypropyl]-3-(ethylamino)- 5-(2-oxopyrrolidin-1-yl)benzamide | A | 2VJ9 | 0.7 | |
IXX | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.7 | |
FEX | A | 1OSH | 0.76 | ||
HAQ | 5-AMINO-4-OXO-1,2,4,5,6,7-HEXAHYDRO- AZEPINO[3,2,1-HI]INDOLE-2-CARBOXYLIC ACID | D | 1D5X | 0.75 | |
LG7 | 4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO- 1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)- YL]-1-NAPHTHONITRILE | A | 2IHQ | 0.7 | |
SC5 | 2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)- 1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE- 1,1-DIOL | H | 1YNK | 0.71 | |
GA0 | GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE | A | 2DCM | 0.77 | |
INH | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 1SLN | 0.74 | |
INH | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 2SRT | 0.74 | |
INH | N-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2- PHENYLETHYL)GLYCYL-L-ARGININE-N- PHENYLAMIDE | A | 3BG8 | 0.74 | |
EOT | [(1-[(BIS-CARBOXYMETHYL-AMINO)- METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)- THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL- AMINO]-ACETIC ACID | H | 1INE | 0.71 | |
EOT | [(1-[(BIS-CARBOXYMETHYL-AMINO)- METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)- THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL- AMINO]-ACETIC ACID | H | 1IND | 0.71 | |
IN7 | [4-(4-PHENYL-PIPERIDIN-1-YL)-BENZENESULFONYLAMINO]- ACETIC ACID | A | 1B8Y | 0.72 | |
LO1 | [[4-(AMINOMETHYL)PHENYL]AMINO]OXO- ACETIC ACID, | A | 1WAX | 0.72 |