Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03446718
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 |
AU4![]() | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.84 | ![]() |
NIN![]() | DINITROPHENYLENE | A | 1RSM | 0.7 | ![]() |
NIN![]() | DINITROPHENYLENE | A | 1GVY | 0.7 | ![]() |
NIN![]() | DINITROPHENYLENE | A | 1GW1 | 0.7 | ![]() |
NP1![]() | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.84 | ![]() |
NMQ![]() | N-METHYL O-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE | A | 1D1C | 0.71 | ![]() |
MGR![]() | MALACHITE GREEN | A,B | 3BQZ | 0.8 | ![]() |
MGR![]() | MALACHITE GREEN | A | 1Q8N | 0.8 | ![]() |
MGR![]() | MALACHITE GREEN | A,B | 3BR0 | 0.8 | ![]() |
MGR![]() | MALACHITE GREEN | A,D,E | 3BTL | 0.8 | ![]() |
MGR![]() | MALACHITE GREEN | A,B,D,E | 3BTC | 0.8 | ![]() |
MGR![]() | MALACHITE GREEN | A,B,D,E | 1JUP | 0.8 | ![]() |
MNS![]() | 5-(DIMETHYLAMINO)-1-NAPHTHALENESULFONAMIDE | A | 1OKL | 0.7 | ![]() |
12Q![]() | 1-METHYLQUINOLIN-2(1H)-ONE | A,B | 2F64 | 0.72 | ![]() |
HFT![]() | HYDROXYFLUTAMIDE | A | 2AX6 | 0.7 | ![]() |
IXX![]() | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.82 | ![]() |
DOF![]() | (S)-2-(4-NITROBENZYL)-1,4,7,10- TETRAAZACYCLODODECANE-N,N',N'',N'''- TETRAACETATE | A,B,C,D | 1NC4 | 0.76 | ![]() |
NOX![]() | N-(PARA-GLUTARAMIDOPHENYL-ETHYL)- PIPERIDINIUM-N-OXIDE | L | 35C8 | 0.7 | ![]() |
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 | ![]() |
3CZ![]() | (2R)-1-[(4-tert-butylphenyl)sulfonyl]- 2-methyl-4-(4-nitrophenyl)piperazine | A,B | 3CZR | 0.79 | ![]() |
SC5![]() | 2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)- 1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE- 1,1-DIOL | H | 1YNK | 0.72 | ![]() |
BAN![]() | HONH-BENZYLMALONYL-L-ALANYLGLYCINE- P-NITROANILIDE | A | 5TLN | 0.74 | ![]() |
AFF![]() | 2-ACETYLAMINOFLUORENE-3-YL | A | 2GE2 | 0.71 | ![]() |
CVI![]() | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.8 | ![]() |
NP2![]() | N-(3-AMINOPROPYL)-2-NITROBENZENAMINE | A | 1WUM | 0.77 | ![]() |
TSN![]() | TRICHOSTATIN A | A,B | 1T64 | 0.71 | ![]() |
TSN![]() | TRICHOSTATIN A | A,B | 1C3R | 0.71 | ![]() |
TSN![]() | TRICHOSTATIN A | A,B,C | 3F0R | 0.71 | ![]() |
TSN![]() | TRICHOSTATIN A | A,B,C | 3C10 | 0.71 | ![]() |
CXX![]() | 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q6H | 0.75 | ![]() |
CXX![]() | 3-(3-CHLORO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N,N-DIMETHYLPROPAN-1-AMINE | A | 2QEI | 0.75 | ![]() |
BTM![]() | N-benzyl-N,N-diethylethanaminium | A,B | 2Q9Y | 0.71 | ![]() |
4NM![]() | 4-NITROPHENYL METHANETHIOL | A,B | 2VO4 | 0.76 | ![]() |
NIT![]() | 4-NITROANILINE | C,D | 1RMH | 0.7 | ![]() |
NIT![]() | 4-NITROANILINE | A,B,D,F,G,H,I | 2IXP | 0.7 | ![]() |
NIT![]() | 4-NITROANILINE | B | 1VBS | 0.7 | ![]() |
NIT![]() | 4-NITROANILINE | C | 1V9T | 0.7 | ![]() |
NIT![]() | 4-NITROANILINE | C,D | 1VBT | 0.7 | ![]() |
NIT![]() | 4-NITROANILINE | B | 1LOP | 0.7 | ![]() |
NIT![]() | 4-NITROANILINE | C,D | 1ZKF | 0.7 | ![]() |
NIT![]() | 4-NITROANILINE | B | 1PIP | 0.7 | ![]() |
TNL![]() | 2,4,6-TRINITROTOLUENE | A | 1GVR | 0.77 | ![]() |
PNC![]() | PARA-NITROBENZYL GLUTARYL GLYCINIC ACID | L | 1YEF | 0.71 | ![]() |
AAH![]() | H | 1KEL | 0.74 | ![]() | |
AAH![]() | B,H | 1FL6 | 0.74 | ![]() | |
264![]() | (phenylamino)acetonitrile | A | 2RBN | 0.7 | ![]() |
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 | ![]() |
PNZ![]() | P-NITRO-BENZYLAMINE | A,D,H | 2HJ4 | 0.82 | ![]() |
PNZ![]() | P-NITRO-BENZYLAMINE | A,B | 2C70 | 0.82 | ![]() |
DR1![]() | 5-METHYL-5H-INDOLO[3,2-B]QUINOLINE | A | 1K9G | 0.74 | ![]() |
NYL![]() | N-ALLYL-ANILINE | A | 1OVK | 0.7 | ![]() |
3NT![]() | 3-NITROTOLUENE | A,B | 2BMR | 0.79 | ![]() |
3NT![]() | 3-NITROTOLUENE | A,B | 2HMO | 0.79 | ![]() |
EBW![]() | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM | A | 1E3Q | 0.81 | ![]() |
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 | 0.75 | ![]() |
UFO![]() | 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine | A,B,D | 3GQT | 0.77 | ![]() |
HNT![]() | [(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN- 3-YL]METHANOL | A,B | 2G70 | 0.7 | ![]() |
TNS![]() | A,B,L | 2G2R | 0.84 | ![]() | |
IDM![]() | INDOLINE | A,B | 3CEP | 0.72 | ![]() |
IDM![]() | INDOLINE | A | 1AEK | 0.72 | ![]() |
NPB![]() | 3-NITROPHENYLBORONIC ACID | A,B | 1KDS | 0.71 | ![]() |