Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00612069
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 |
TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | B,C,D | 1TYM | 0.71 |  |
| TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | B,C,D | 1TYL | 0.71 | |
| TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | A | 2OCU | 0.71 | |
| TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | A,B,C,D,F | 3DJI | 0.71 | |
| TYL | N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) | A | 2DPZ | 0.71 | |
HBQ | ISOPROPYL (2S)-2-ETHYL-7-FLUORO- 3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)- CARBOXYLATE | A | 2OPR | 0.71 | |
| HBQ | ISOPROPYL (2S)-2-ETHYL-7-FLUORO- 3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)- CARBOXYLATE | A,B | 2OPS | 0.71 | |
| HBQ | ISOPROPYL (2S)-2-ETHYL-7-FLUORO- 3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)- CARBOXYLATE | A | 2OPP | 0.71 | |
| HBQ | ISOPROPYL (2S)-2-ETHYL-7-FLUORO- 3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)- CARBOXYLATE | A | 2OPQ | 0.71 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.74 | |
| DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.74 | |
EBW | 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}- 3-OXOPENTYL)-N,N-DIMETHYL-N-PROP- 2-ENYLBENZENAMINIUM | A | 1E3Q | 0.73 | |
APB | M-AMINOPHENYLBORONIC ACID | A,B | 3BLS | 0.72 | |
GEP | N-METHYL-N-(PARA-GLUTARAMIDOPHENYL- ETHYL)-PIPERIDINIUM ION | L | 25C8 | 0.7 | |
12Q | 1-METHYLQUINOLIN-2(1H)-ONE | A,B | 2F64 | 0.72 | |
T2D | 1,2,5-THIADIAZOLIDIN-3-ONE-1,1- DIOXIDE | A | 2BGE | 0.77 | |
IS2 | [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID | A | 1O4J | 0.72 | |
CIU | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A,B | 1EK1 | 0.78 | |
| CIU | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A | 1VJ5 | 0.78 | |
AFF | 2-ACETYLAMINOFLUORENE-3-YL | A | 2GE2 | 0.8 | |
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 | |
CBE | 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4- OXATHIINE-3-CARBOXAMIDE | A,B,C,D,N,O, P,Q | 2FBW | 0.76 | |
NP2 | N-(3-AMINOPROPYL)-2-NITROBENZENAMINE | A | 1WUM | 0.7 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.72 | |
566 | (3S)-1-CYCLOHEXYL-5-OXO-N-PHENYLPYRROLIDINE- 3-CARBOXAMIDE | A | 2H7I | 0.79 | |
LGD | 6-[BIS(2,2,2-TRIFLUOROETHYL)AMINO]- 4-(TRIFLUOROMETHYL)QUINOLIN-2(1H)- ONE | A | 2HVC | 0.73 | |
SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | B,H | 1UB5 | 0.74 | |
| SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | A,B,H,L | 3CFB | 0.74 | |
| SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | B,H | 3CFD | 0.74 | |
| SPB | 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID | A,L | 1FL3 | 0.74 | |
IXX | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.71 | |
URS | N-PHENYLTHIOUREA | A,B | 1BUG | 0.75 | |
IAP | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A | 1S6R | 0.85 | |
| IAP | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A,B | 1K6S | 0.85 | |
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 | 0.71 | |
| 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 | 0.71 | |
PHJ | N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE | A,B | 1UR9 | 0.8 | |
NYL | N-ALLYL-ANILINE | A | 1OVK | 0.79 | |
SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1C3S | 0.83 | |
| SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C | 3C0Z | 0.83 | |
| SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A | 1T69 | 0.83 | |
| SHH | OCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDE | A,B,C,D | 1ZZ1 | 0.83 | |
BSU | 1,3-DIPHENYLUREA | A | 3E85 | 0.85 | |
| BSU | 1,3-DIPHENYLUREA | A | 2ZJF | 0.85 | |
PL0 | 1-phenylguanidine | A | 2O8W | 0.74 | |
ZMG | (5R)-2-[(2-fluorophenyl)amino]- 5-(1-methylethyl)-1,3-thiazol-4(5H)- one | A,B,C,D | 2RBE | 0.7 | |
G1L | 3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A,B | 2I80 | 0.76 | |
BL5 | A,B | 1RL4 | 0.72 | | |
ANL | ANILINE | A | 2OV4 | 0.71 | |
| ANL | ANILINE | A | 1AEE | 0.71 | |
| ANL | ANILINE | A | 1PPA | 0.71 | |
| ANL | ANILINE | A | 1HJ9 | 0.71 | |
TYX | S-(2-ANILINO-2-OXOETHYL)-L-CYSTEINE | A | 2PQT | 0.74 | |
4ND | N4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINE | H,I | 1NO9 | 0.76 | |
FOE | 2-(2-AMINO-3-OXO-PROPYLSULFANYL)- N-(4-FLUORO-PHENYL)-N-ISOPROPYL- ACETAMIDE | B | 1BX9 | 0.71 | |
P1Z | 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE- 3,5-DIONE | A,B | 2W98 | 0.77 | |
| P1Z | 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE- 3,5-DIONE | A,B | 2BXC | 0.77 | |
| P1Z | 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE- 3,5-DIONE | A | 2BXP | 0.77 | |
| P1Z | 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE- 3,5-DIONE | A | 2BXQ | 0.77 | |
GA0 | GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDE | A | 2DCM | 0.7 | |
GNR | 2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN- 2-YL)-N-HYDROXYACETAMIDE | A,B | 1S17 | 0.71 | |
264 | (phenylamino)acetonitrile | A | 2RBN | 0.78 | |
1MR | N-METHYLANILINE | X | 2OTZ | 0.79 | |
ASR | 4-AMINOPHENYLARSONIC ACID | A | 1N4F | 0.72 | |
665 | (3S)-N-(3-BROMOPHENYL)-1-CYCLOHEXYL- 5-OXOPYRROLIDINE-3-CARBOXAMIDE | A | 2H7L | 0.73 | |
OCH | QUINOLIN-2(1H)-ONE | A,B,C,D,E,F | 1Z03 | 0.77 | |
171 | 2-PHENYLAMINO-ETHANESULFONIC ACID | A,B | 1SXG | 0.7 | |
G3E | 3-hydroxyquinolin-2(1H)-one | A,B,C,D | 3G3E | 0.7 | |
CF3 | 9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE | A,B,C,D | 2GH6 | 0.81 | |
UN6 | (3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]- METHYL}-PHENYL)-SULFAMIC ACID | A | 2F70 | 0.71 | |
EOB | {1,3-PHENYLENEBIS[IMINO(2-OXOETHANE- 2,1-DIYL)]}BIS(PHOSPHONIC ACID) | A,B,C,D | 2FZG | 0.78 | |
641 | (3S)-1-CYCLOHEXYL-N-(3,5-DICHLOROPHENYL)- 5-OXOPYRROLIDINE-3-CARBOXAMIDE | A | 2H7M | 0.7 | |
LO1 | [[4-(AMINOMETHYL)PHENYL]AMINO]OXO- ACETIC ACID, | A | 1WAX | 0.72 | |