Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00776765
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 |
PNC![]() | PARA-NITROBENZYL GLUTARYL GLYCINIC ACID | L | 1YEF | 0.77 | ![]() |
TPM![]() | 2-(4-AMINOBENZYLAMINO)-3,4,5,6- TETRAHYDROPYRIDINIUM | J,K,L | 1F3D | 0.75 | ![]() |
XYD![]() | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.73 | ![]() |
XYD![]() | 2,5-DIMETHYLANILINE | A | 1L4L | 0.73 | ![]() |
A8B![]() | A | 1ODC | 0.74 | ![]() | |
HFT![]() | HYDROXYFLUTAMIDE | A | 2AX6 | 0.72 | ![]() |
MNQ![]() | M-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE | A | 1D0X | 0.72 | ![]() |
CIU![]() | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A,B | 1EK1 | 0.7 | ![]() |
CIU![]() | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A | 1VJ5 | 0.7 | ![]() |
NIN![]() | DINITROPHENYLENE | A | 1RSM | 0.72 | ![]() |
NIN![]() | DINITROPHENYLENE | A | 1GVY | 0.72 | ![]() |
NIN![]() | DINITROPHENYLENE | A | 1GW1 | 0.72 | ![]() |
3NT![]() | 3-NITROTOLUENE | A,B | 2BMR | 0.77 | ![]() |
3NT![]() | 3-NITROTOLUENE | A,B | 2HMO | 0.77 | ![]() |
AU4![]() | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.77 | ![]() |
IDM![]() | INDOLINE | A,B | 3CEP | 0.76 | ![]() |
IDM![]() | INDOLINE | A | 1AEK | 0.76 | ![]() |
PRQ![]() | (3S)-3-amino-3-(2-nitrophenyl)propanoic acid | C,F,I,L | 2VE6 | 0.72 | ![]() |
AAH![]() | H | 1KEL | 0.71 | ![]() | |
AAH![]() | B,H | 1FL6 | 0.71 | ![]() | |
UN6![]() | (3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]- METHYL}-PHENYL)-SULFAMIC ACID | A | 2F70 | 0.72 | ![]() |
PNQ![]() | P-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE | A | 1D0Z | 0.71 | ![]() |
4NM![]() | 4-NITROPHENYL METHANETHIOL | A,B | 2VO4 | 0.74 | ![]() |
NP1![]() | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.86 | ![]() |
FLM![]() | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.71 | ![]() |
LJH![]() | N,N'-(iminodiethane-2,1-diyl)bis(4- amino-N-benzylbenzenesulfonamide) | A,B | 3BGC | 0.7 | ![]() |
PNZ![]() | P-NITRO-BENZYLAMINE | A,D,H | 2HJ4 | 0.85 | ![]() |
PNZ![]() | P-NITRO-BENZYLAMINE | A,B | 2C70 | 0.85 | ![]() |
PRY![]() | 2-PROPYL-ANILINE | A | 1OWY | 0.74 | ![]() |
1MR![]() | N-METHYLANILINE | X | 2OTZ | 0.7 | ![]() |
BAN![]() | HONH-BENZYLMALONYL-L-ALANYLGLYCINE- P-NITROANILIDE | A | 5TLN | 0.76 | ![]() |
264![]() | (phenylamino)acetonitrile | A | 2RBN | 0.73 | ![]() |
PND![]() | P-NITROPHENYLHYDRAZINE | A,G | 1JMZ | 0.7 | ![]() |
NYL![]() | N-ALLYL-ANILINE | A | 1OVK | 0.74 | ![]() |
NPP![]() | N-(2-AMINO-ETHYL)-4,6-DINITRO-N'- (2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN- 4-YL)-BENZENE-1,3-DIAMINE | L | 1BAF | 0.78 | ![]() |
IXX![]() | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.74 | ![]() |
DBP![]() | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.76 | ![]() |
TNL![]() | 2,4,6-TRINITROTOLUENE | A | 1GVR | 0.77 | ![]() |
PPN![]() | PARA-NITROPHENYLALANINE | I | 1YTJ | 0.72 | ![]() |
TNS![]() | A,B,L | 2G2R | 0.72 | ![]() | |
2BF![]() | ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID | A,B,C,D | 1ND5 | 0.71 | ![]() |
01W![]() | (2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoate | A,B | 3DS9 | 0.7 | ![]() |
HNT![]() | [(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN- 3-YL]METHANOL | A,B | 2G70 | 0.77 | ![]() |
DSM![]() | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.79 | ![]() |
DSM![]() | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.79 | ![]() |
NBZ![]() | NITROBENZENE | A,B | 2BMQ | 0.72 | ![]() |
NBZ![]() | NITROBENZENE | A,B | 3BGU | 0.72 | ![]() |
G3G![]() | N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4- AMINO-N-BENZYLBENZENESULFONAMIDE) | A,B | 2R43 | 0.7 | ![]() |
G3G![]() | N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4- AMINO-N-BENZYLBENZENESULFONAMIDE) | A,B | 2PWC | 0.7 | ![]() |
G3G![]() | N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4- AMINO-N-BENZYLBENZENESULFONAMIDE) | A,B | 2R3W | 0.7 | ![]() |
NP2![]() | N-(3-AMINOPROPYL)-2-NITROBENZENAMINE | A | 1WUM | 0.81 | ![]() |
566![]() | (3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE- 3-CARBOXAMIDE | A | 2H7I | 0.7 | ![]() |
DOF![]() | (S)-2-(4-NITROBENZYL)-1,4,7,10- TETRAAZACYCLODODECANE-N,N',N'',N'''- TETRAACETATE | A,B,C,D | 1NC4 | 0.73 | ![]() |
SC5![]() | 2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)- 1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE- 1,1-DIOL | H | 1YNK | 0.71 | ![]() |
271![]() | N-methyl-1-phenylmethanamine | X | 2RBT | 0.7 | ![]() |
NIT![]() | 4-NITROANILINE | C,D | 1RMH | 0.75 | ![]() |
NIT![]() | 4-NITROANILINE | A,B,D,F,G,H,I | 2IXP | 0.75 | ![]() |
NIT![]() | 4-NITROANILINE | B | 1VBS | 0.75 | ![]() |
NIT![]() | 4-NITROANILINE | C | 1V9T | 0.75 | ![]() |
NIT![]() | 4-NITROANILINE | C,D | 1VBT | 0.75 | ![]() |
NIT![]() | 4-NITROANILINE | B | 1LOP | 0.75 | ![]() |
NIT![]() | 4-NITROANILINE | C,D | 1ZKF | 0.75 | ![]() |
NIT![]() | 4-NITROANILINE | B | 1PIP | 0.75 | ![]() |
UFO![]() | 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine | A,B,D | 3GQT | 0.72 | ![]() |
3CZ![]() | (2R)-1-[(4-tert-butylphenyl)sulfonyl]- 2-methyl-4-(4-nitrophenyl)piperazine | A,B | 3CZR | 0.7 | ![]() |
NPB![]() | 3-NITROPHENYLBORONIC ACID | A,B | 1KDS | 0.71 | ![]() |