Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02224179
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 |
NP2 | N-(3-AMINOPROPYL)-2-NITROBENZENAMINE | A | 1WUM | 0.75 |  |
NYL | N-ALLYL-ANILINE | A | 1OVK | 0.9 | |
ZMG | (5R)-2-[(2-fluorophenyl)amino]- 5-(1-methylethyl)-1,3-thiazol-4(5H)- one | A,B,C,D | 2RBE | 0.71 | |
1AN | 2-FLUOROANILINE | A | 1LGW | 0.77 | |
5AN | 3,5-DIFLUOROANILINE | A | 1LGX | 0.75 | |
URS | N-PHENYLTHIOUREA | A,B | 1BUG | 0.77 | |
1MR | N-METHYLANILINE | X | 2OTZ | 0.85 | |
CBE | 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4- OXATHIINE-3-CARBOXAMIDE | A,B,C,D,N,O, P,Q | 2FBW | 0.71 | |
FOE | 2-(2-AMINO-3-OXO-PROPYLSULFANYL)- N-(4-FLUORO-PHENYL)-N-ISOPROPYL- ACETAMIDE | B | 1BX9 | 0.74 | |
OSP | SULTHIAME | A | 2Q1Q | 0.75 | |
CIU | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A,B | 1EK1 | 0.74 | |
| CIU | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A | 1VJ5 | 0.74 | |
ANL | ANILINE | A | 2OV4 | 0.74 | |
| ANL | ANILINE | A | 1AEE | 0.74 | |
| ANL | ANILINE | A | 1PPA | 0.74 | |
| ANL | ANILINE | A | 1HJ9 | 0.74 | |
264 | (phenylamino)acetonitrile | A | 2RBN | 0.87 | |
IAP | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A | 1S6R | 0.75 | |
| IAP | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A,B | 1K6S | 0.75 | |
FLM | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.71 | |
T2D | 1,2,5-THIADIAZOLIDIN-3-ONE-1,1- DIOXIDE | A | 2BGE | 0.74 | |
APB | M-AMINOPHENYLBORONIC ACID | A,B | 3BLS | 0.73 | |
221 | (2R,3R)-3-{[3,5-BIS(TRIFLUOROMETHYL)PHENYL]AMINO}- 2-CYANO-3-THIOXOPROPANAMIDE | A,B | 2IJN | 0.75 | |
171 | 2-PHENYLAMINO-ETHANESULFONIC ACID | A,B | 1SXG | 0.87 | |
BSU | 1,3-DIPHENYLUREA | A | 3E85 | 0.73 | |
| BSU | 1,3-DIPHENYLUREA | A | 2ZJF | 0.73 | |
PL0 | 1-phenylguanidine | A | 2O8W | 0.74 | |
ROK | 4-AMINO-N-[(2-SULFANYLETHYL)CARBAMOYL]BENZENESULFONAMIDE | A,B,C,D,E,F, G,H | 2VT5 | 0.72 | |
PTU | 2-ETHYL-1-PHENYL-ISOTHIOUREA | A,B | 1K2T | 0.73 | |
| PTU | 2-ETHYL-1-PHENYL-ISOTHIOUREA | A,B | 1D1V | 0.73 | |
ASR | 4-AMINOPHENYLARSONIC ACID | A | 1N4F | 0.73 | |
TYX | S-(2-ANILINO-2-OXOETHYL)-L-CYSTEINE | A | 2PQT | 0.74 | |
DBP | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.71 | |
PHJ | N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE | A,B | 1UR9 | 0.74 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.71 | |
| DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.71 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.71 | |
CF3 | 9,9,9-TRIFLUORO-8-OXO-N-PHENYLNONANAMIDE | A,B,C,D | 2GH6 | 0.71 | |
IDM | INDOLINE | A,B | 3CEP | 0.77 | |
| IDM | INDOLINE | A | 1AEK | 0.77 | |