Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03610322
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 |
CPU![]() | A,B | 1CR6 | 0.75 | ![]() | |
G1L![]() | 3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A,B | 2I80 | 0.72 | ![]() |
BL5![]() | A,B | 1RL4 | 0.71 | ![]() | |
GP6![]() | 1-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREA | A | 1BJU | 0.72 | ![]() |
IS2![]() | [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID | A | 1O4J | 0.72 | ![]() |
BSU![]() | 1,3-DIPHENYLUREA | A | 3E85 | 0.83 | ![]() |
BSU![]() | 1,3-DIPHENYLUREA | A | 2ZJF | 0.83 | ![]() |
ZAT![]() | 4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE) | A | 2W0J | 0.73 | ![]() |
1MR![]() | N-METHYLANILINE | X | 2OTZ | 0.75 | ![]() |
221![]() | (2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}- 2-CYANO-3-THIOXOPROPANAMIDE | A,B | 2IJN | 0.7 | ![]() |
DSM![]() | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.75 | ![]() |
DSM![]() | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.75 | ![]() |
N5T![]() | (2S)-4-(2,5-DIFLUOROPHENYL)-N,N- DIMETHYL-2-PHENYL-2,5-DIHYDRO-1H- PYRROLE-1-CARBOXAMIDE | A,B | 2FL6 | 0.74 | ![]() |
TPM![]() | 2-(4-AMINOBENZYLAMINO)-3,4,5,6- TETRAHYDROPYRIDINIUM | J,K,L | 1F3D | 0.7 | ![]() |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | E,F,G,H | 1NJU | 0.72 | ![]() |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | Y,Z | 1JQ7 | 0.72 | ![]() |
BAS![]() | N-(1-PHENYL-PROPYL)-FORMAMIDE | C | 1NKM | 0.72 | ![]() |
LGD![]() | 6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]- 4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)- ONE | A | 2HVC | 0.73 | ![]() |
LO1![]() | [[4-(AMINOMETHYL)PHENYL]AMINO]OXO- ACETIC ACID, | A | 1WAX | 0.71 | ![]() |
N2T![]() | (2S)-4-(2,5-DIFLUOROPHENYL)-N-METHYL- 2-PHENYL-N-PIPERIDIN-4-YL-2,5-DIHYDRO- 1H-PYRROLE-1-CARBOXAMIDE | A,B | 2FKY | 0.75 | ![]() |
IXX![]() | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.71 | ![]() |
SC5![]() | 2-[((R)-{[4-(AMINOMETHYL)PHENYL]AMINO}{[(1R)- 1-PHENYLETHYL]AMINO}METHYL)AMINO]ETHANE- 1,1-DIOL | H | 1YNK | 0.77 | ![]() |
FLM![]() | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.71 | ![]() |
FRP![]() | N1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)- 5-METHYL-6-OXO-1-PHENYLHEXAN-2- YL)-N3,N3-DIPROPYLISOPHTHALAMIDE | A,B,C | 2FDP | 0.71 | ![]() |
566![]() | (3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE- 3-CARBOXAMIDE | A | 2H7I | 0.76 | ![]() |
FRQ![]() | 5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN- 1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)- DIONE | A,B | 1UK1 | 0.7 | ![]() |
UN6![]() | (3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]- METHYL}-PHENYL)-SULFAMIC ACID | A | 2F70 | 0.7 | ![]() |
URS![]() | N-PHENYLTHIOUREA | A,B | 1BUG | 0.73 | ![]() |
AU4![]() | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.78 | ![]() |
264![]() | (phenylamino)acetonitrile | A | 2RBN | 0.75 | ![]() |
AGB![]() | N-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREA | A | 1EJN | 0.78 | ![]() |
12Q![]() | 1-METHYLQUINOLIN-2(1H)-ONE | A,B | 2F64 | 0.71 | ![]() |
NYL![]() | N-ALLYL-ANILINE | A | 1OVK | 0.75 | ![]() |
PHJ![]() | N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE | A,B | 1UR9 | 0.72 | ![]() |
IDM![]() | INDOLINE | A,B | 3CEP | 0.73 | ![]() |
IDM![]() | INDOLINE | A | 1AEK | 0.73 | ![]() |
468![]() | (3S)-N-(3-CHLORO-2-METHYLPHENYL)- 1-CYCLOHEXYL-5-OXOPYRROLIDINE-3- CARBOXAMIDE | A | 2H7P | 0.71 | ![]() |
CIU![]() | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A,B | 1EK1 | 0.88 | ![]() |
CIU![]() | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A | 1VJ5 | 0.88 | ![]() |
SII![]() | N-(4-{[4-(cyclohexylamino)-1-(3- fluorophenyl)-2-oxo-1,3,8-triazaspiro[4.5]dec- 3-en-8-yl]methyl}phenyl)acetamide | A | 3FKT | 0.73 | ![]() |
DBP![]() | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.71 | ![]() |
GA0![]() | GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE | A | 2DCM | 0.7 | ![]() |
744![]() | (3S)-N-(5-CHLORO-2-METHYLPHENYL)- 1-CYCLOHEXYL-5-OXOPYRROLIDINE-3- CARBOXAMIDE | A | 2H7N | 0.71 | ![]() |
AFF![]() | 2-ACETYLAMINOFLUORENE-3-YL | A | 2GE2 | 0.72 | ![]() |
PL0![]() | 1-phenylguanidine | A | 2O8W | 0.72 | ![]() |
OCH![]() | QUINOLIN-2(1H)-ONE | A,B,C,D,E,F | 1Z03 | 0.7 | ![]() |
A8B![]() | A | 1ODC | 0.71 | ![]() | |
NR2![]() | N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)- 4-METHYLBENZENESULFONAMIDE | A | 1ZFK | 0.74 | ![]() |
UFO![]() | 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine | A,B,D | 3GQT | 0.72 | ![]() |