Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02283001
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 |
PRY | 2-PROPYL-ANILINE | A | 1OWY | 0.7 | |
FG1 | N-[4-(2-{2-[3-(2-BROMO-ACETYLAMINO)- PROPIONYLAMINO]-3-HYDROXY-PROPIONYLAMINO}- ETHYL)-PHENYL]-OXALAMIC ACID | A | 1NWE | 0.73 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZSF | 0.72 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A | 1JLD | 0.72 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B | 1IDA | 0.72 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B | 1IDB | 0.72 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1Z8C | 0.72 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZBG | 0.72 | |
PR0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(R)- OL | A,B,I | 1ZPK | 0.72 | |
TNS | A,B,L | 2G2R | 0.71 | ||
SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | B,H | 1UB5 | 0.72 | |
SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | A,B,H,L | 3CFB | 0.72 | |
SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | B,H | 3CFD | 0.72 | |
SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | A,L | 1FL3 | 0.72 | |
NAF | M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2- TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE | A | 1AMN | 0.72 | |
NAF | M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2- TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE | A,B | 2H9Y | 0.72 | |
NP1 | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.74 | |
LGD | 6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]- 4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)- ONE | A | 2HVC | 0.7 | |
LO1 | [[4-(AMINOMETHYL)PHENYL]AMINO]OXO- ACETIC ACID, | A | 1WAX | 0.8 | |
GB2 | (2R,3R,4S)-2-({[(1S)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE- 3,4-DIOL | A | 2F1A | 0.74 | |
G1L | 3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A,B | 2I80 | 0.7 | |
1JZ | 1-[4-(hydroxymethyl)phenyl]guanidine | B | 3FVF | 0.73 | |
HFT | HYDROXYFLUTAMIDE | A | 2AX6 | 0.7 | |
1MR | N-METHYLANILINE | X | 2OTZ | 0.73 | |
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 | 0.71 | |
DOE | (S)-2-(4-(2-(2-HYDROXYETHYLTHIO)- ACETAMIDO)-BENZYL)-1,4,7,10-TETRAAZACYCLODODECANE- N,N',N'',N'''-TETRAACETATE | A,B,C,D | 1NC2 | 0.74 | |
GB1 | (2R,3R,4S)-2-({[(1R)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)PYRROLIDINE- 3,4-DIOL | A | 2F18 | 0.74 | |
PDM | 4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)- PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID | A,B,C | 1L2O | 0.72 | |
PDM | 4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)- PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID | A,C | 1KWO | 0.72 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | A,B,I | 1ZSR | 0.72 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1ZJ7 | 0.72 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1ZLF | 0.72 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1HEG | 0.72 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1FQX | 0.72 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | A,B,I | 1IIQ | 0.72 | |
PS0 | 3(S)-AMINO-4-PHENYL-BUTAN-2(S)- OL | I | 1HEF | 0.72 | |
EBW | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM | A | 1E3Q | 0.74 | |
CVI | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.71 | |
CLK | ALPHA-N-DICHLOROACETYL-P-AMINOPHENYLSERINOL | A | 1GRQ | 0.72 | |
IDM | INDOLINE | A,B | 3CEP | 0.76 | |
IDM | INDOLINE | A | 1AEK | 0.76 | |
IS2 | [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID | A | 1O4J | 0.73 | |
MNI | N-{[(2R,3R,4R,5R)-3,4-DIHYDROXY- 5-(HYDROXYMETHYL)PYRROLIDIN-2-YL]METHYL}- 4-(DIMETHYLAMINO)BENZAMIDE | A,B | 2OYM | 0.74 | |
EOT | [(1-[(BIS-CARBOXYMETHYL-AMINO)- METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)- THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL- AMINO]-ACETIC ACID | H | 1INE | 0.77 | |
EOT | [(1-[(BIS-CARBOXYMETHYL-AMINO)- METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)- THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL- AMINO]-ACETIC ACID | H | 1IND | 0.77 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.77 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.77 | |
BEP | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | C | 1LXF | 0.76 | |
BEP | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | A | 1DTL | 0.76 | |
DBP | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.73 | |
NOX | N-(PARA-GLUTARAMIDOPHENYL-ETHYL)- PIPERIDINIUM-N-OXIDE | L | 35C8 | 0.73 | |
427 | (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL)PHENYL)GUANIDINE | A | 1ZMN | 0.72 | |
MGR | MALACHITE GREEN | A,B | 3BQZ | 0.71 | |
MGR | MALACHITE GREEN | A | 1Q8N | 0.71 | |
MGR | MALACHITE GREEN | A,B | 3BR0 | 0.71 | |
MGR | MALACHITE GREEN | A,D,E | 3BTL | 0.71 | |
MGR | MALACHITE GREEN | A,B,D,E | 3BTC | 0.71 | |
MGR | MALACHITE GREEN | A,B,D,E | 1JUP | 0.71 | |
A26 | 2-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL- PHENYL)-BUTYRAMIDE | A | 1TV5 | 0.77 | |
A26 | 2-CYANO-3-HYDROXY-N-(4-TRIFLUOROMETHYL- PHENYL)-BUTYRAMIDE | A | 1D3H | 0.77 | |
TPM | 2-(4-AMINOBENZYLAMINO)-3,4,5,6- TETRAHYDROPYRIDINIUM | J,K,L | 1F3D | 0.72 | |
SOA | ISATOIC ANHYDRIDE | A | 1BIO | 0.71 | |
CLC | N-ACETYL-P-NITROPHENYLSERINOL | A | 1GRR | 0.73 | |
264 | (phenylamino)acetonitrile | A | 2RBN | 0.75 | |
IXX | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.73 | |
PIR | 2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL- PYRROLIDINE-3,4-DIOL | A,B,C,D | 2MAS | 0.81 | |
NYL | N-ALLYL-ANILINE | A | 1OVK | 0.75 | |
K7I | L-alanyl-N-[(1S,2R)-1-benzyl-2- hydroxypropyl]-L-alaninamide | A,B | 2QXG | 0.71 | |
GEP | N-METHYL-N-(PARA-GLUTARAMIDOPHENYL- ETHYL)-PIPERIDINIUM ION | L | 25C8 | 0.76 | |
SC5 | 2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)- 1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE- 1,1-DIOL | H | 1YNK | 0.82 | |
GB3 | (2R,3R,4S,5R)-2-({[(1R)-2-HYDROXY- 1-PHENYLETHYL]AMINO}METHYL)-5-METHYLPYRROLIDINE- 3,4-DIOL | A | 2F1B | 0.75 | |
CBL | CHLORAMBUCIL | A,B | 3CSJ | 0.71 | |
SK3 | (1R,2R,3S,4S,5R)-5-(BENZYLAMINO)CYCLOPENTANE- 1,2,3,4-TETROL | A | 2F7R | 0.74 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3F06 | 0.77 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3EZP | 0.77 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A | 3EW8 | 0.77 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A,B | 3EZT | 0.77 | |
B3N | 4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE- N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE | A | 1T67 | 0.77 | |
PNC | PARA-NITROBENZYL GLUTARYL GLYCINIC ACID | L | 1YEF | 0.71 | |
HNT | [(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN- 3-YL]METHANOL | A,B | 2G70 | 0.75 | |
HDB | (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL)BENZYL)GUANIDINE | A | 1ZMJ | 0.71 | |
MN2 | 1-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENE | N | 1NLO | 0.7 | |
G3E | 3-hydroxyquinolin-2(1H)-one | A,B,C,D | 3G3E | 0.72 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.79 | |
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 | 0.74 | |
44B | 1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2- TRIFLUOROETHYL)AMINO]PHENYL}PROPAN- 2-OL | A,B,C,D | 1PQ9 | 0.75 | |
AFF | 2-ACETYLAMINOFLUORENE-3-YL | A | 2GE2 | 0.7 | |
UFO | 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine | A,B,D | 3GQT | 0.77 | |
VG7 | N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)- 2-hydroxypropyl]-3-(ethylamino)- 5-(2-oxopyrrolidin-1-yl)benzamide | A | 2VJ9 | 0.72 | |
ZLD | N-{[(5S)-3-(3-fluoro-4-morpholin- 4-ylphenyl)-2-oxo-1,3-oxazolidin- 5-yl]methyl}acetamide | 0,1,2,4,9,A, B,C,F,H,I,J, K,L,M,N,P,Q, R,S,T,X,Y,Z | 3CPW | 0.7 | |
ZLD | N-{[(5S)-3-(3-fluoro-4-morpholin- 4-ylphenyl)-2-oxo-1,3-oxazolidin- 5-yl]methyl}acetamide | 4,M,X,Y,Z | 3DLL | 0.7 | |
W22 | [(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro- 1H-1,4-benzodiazepin-2-yl]acetic acid | A,B | 2WKW | 0.72 | |
2SK | (1R,2R,3R,4S,5R)-4-(BENZYLAMINO)- 5-(METHYLTHIO)CYCLOPENTANE-1,2,3- TRIOL | A | 2F7P | 0.71 |