Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00604156
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 |
1MR![]() | N-METHYLANILINE | X | 2OTZ | 0.74 | ![]() |
XYD![]() | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.73 | ![]() |
XYD![]() | 2,5-DIMETHYLANILINE | A | 1L4L | 0.73 | ![]() |
IS2![]() | [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID | A | 1O4J | 0.7 | ![]() |
LGD![]() | 6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]- 4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)- ONE | A | 2HVC | 0.7 | ![]() |
SC5![]() | 2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)- 1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE- 1,1-DIOL | H | 1YNK | 0.74 | ![]() |
IDM![]() | INDOLINE | A,B | 3CEP | 0.83 | ![]() |
IDM![]() | INDOLINE | A | 1AEK | 0.83 | ![]() |
EOT![]() | [(1-[(BIS-CARBOXYMETHYL-AMINO)- METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)- THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL- AMINO]-ACETIC ACID | H | 1INE | 0.75 | ![]() |
EOT![]() | [(1-[(BIS-CARBOXYMETHYL-AMINO)- METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)- THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL- AMINO]-ACETIC ACID | H | 1IND | 0.75 | ![]() |
CVI![]() | CRYSTAL VIOLET | A,B,D,E | 1JTX | 0.71 | ![]() |
AU4![]() | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.77 | ![]() |
EBW![]() | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM | A | 1E3Q | 0.7 | ![]() |
TB9![]() | 4-CHLORO-8-METHYL-7-(3-METHYL-BUT- 2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A- TRIAZA-BENZO[CD]AZULENE-1-THIONE | A | 1REV | 0.77 | ![]() |
TB9![]() | 4-CHLORO-8-METHYL-7-(3-METHYL-BUT- 2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A- TRIAZA-BENZO[CD]AZULENE-1-THIONE | A | 1TVR | 0.77 | ![]() |
CIU![]() | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A,B | 1EK1 | 0.74 | ![]() |
CIU![]() | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A | 1VJ5 | 0.74 | ![]() |
UFO![]() | 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine | A,B,D | 3GQT | 0.76 | ![]() |
IXX![]() | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.76 | ![]() |
NP1![]() | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.72 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A | 1BMA | 0.7 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.7 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.7 | ![]() |
ISO![]() | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.7 | ![]() |
NYL![]() | N-ALLYL-ANILINE | A | 1OVK | 0.76 | ![]() |
FLM![]() | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.71 | ![]() |
DBP![]() | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.73 | ![]() |
34A![]() | 3,4-DIMETHYLANILINE | A | 1L4K | 0.7 | ![]() |
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 | ![]() |
A8B![]() | A | 1ODC | 0.7 | ![]() | |
TPM![]() | 2-(4-AMINOBENZYLAMINO)-3,4,5,6- TETRAHYDROPYRIDINIUM | J,K,L | 1F3D | 0.72 | ![]() |
PRY![]() | 2-PROPYL-ANILINE | A | 1OWY | 0.74 | ![]() |
264![]() | (phenylamino)acetonitrile | A | 2RBN | 0.75 | ![]() |
BSU![]() | 1,3-DIPHENYLUREA | A | 3E85 | 0.73 | ![]() |
BSU![]() | 1,3-DIPHENYLUREA | A | 2ZJF | 0.73 | ![]() |
NR2![]() | N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)- 4-METHYLBENZENESULFONAMIDE | A | 1ZFK | 0.7 | ![]() |
T2D![]() | 1,2,5-THIADIAZOLIDIN-3-ONE-1,1- DIOXIDE | A | 2BGE | 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 | ![]() |
PL0![]() | 1-phenylguanidine | A | 2O8W | 0.73 | ![]() |
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 | ![]() |
566![]() | (3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE- 3-CARBOXAMIDE | A | 2H7I | 0.7 | ![]() |
TBO![]() | 5-CHLORO-8-METHYL-7-(3-METHYL-BUT- 2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A- TRIAZA-BENZO[CD]AZULENE-1-THIONE | A | 1HNV | 0.78 | ![]() |
TBO![]() | 5-CHLORO-8-METHYL-7-(3-METHYL-BUT- 2-ENYL)-6,7,8,9-TETRAHYDRO-2H-2,7,9A- TRIAZA-BENZO[CD]AZULENE-1-THIONE | A | 1UWB | 0.78 | ![]() |
BEP![]() | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | C | 1LXF | 0.72 | ![]() |
BEP![]() | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | A | 1DTL | 0.72 | ![]() |
DR1![]() | 5-METHYL-5H-INDOLO[3,2-B]QUINOLINE | A | 1K9G | 0.73 | ![]() |
URS![]() | N-PHENYLTHIOUREA | A,B | 1BUG | 0.8 | ![]() |