Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00010250
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 |
BSU | 1,3-DIPHENYLUREA | A | 3E85 | 0.9 | |
BSU | 1,3-DIPHENYLUREA | A | 2ZJF | 0.9 | |
AGB | N-(1-ADAMANTYL)-N'-(4-GUANIDINOBENZYL)UREA | A | 1EJN | 0.71 | |
NYL | N-ALLYL-ANILINE | A | 1OVK | 0.8 | |
U13 | 4-(4-FLUORO-PHENYLAZO)-5-IMINO- 5H-PYRAZOL-3-YLAMINE | A | 2GG3 | 0.7 | |
PBZ | P-AMINO BENZAMIDINE | A,B | 2BDG | 0.7 | |
PBZ | P-AMINO BENZAMIDINE | A | 1RFN | 0.7 | |
PBZ | P-AMINO BENZAMIDINE | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 2BDI | 0.7 | |
PBZ | P-AMINO BENZAMIDINE | A,B,C,D | 2BDH | 0.7 | |
PBZ | P-AMINO BENZAMIDINE | A | 1FIZ | 0.7 | |
PBZ | P-AMINO BENZAMIDINE | A | 1FIW | 0.7 | |
PBZ | P-AMINO BENZAMIDINE | H,L,T | 2A2Q | 0.7 | |
PHJ | N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE | A,B | 1UR9 | 0.76 | |
ANL | ANILINE | A | 2OV4 | 0.74 | |
ANL | ANILINE | A | 1AEE | 0.74 | |
ANL | ANILINE | A | 1PPA | 0.74 | |
ANL | ANILINE | A | 1HJ9 | 0.74 | |
ZAT | 4,4'-DIACETYLDIPHENYLUREA-BIS(GUANYLHYDRAZONE) | A | 2W0J | 0.72 | |
PL0 | 1-phenylguanidine | A | 2O8W | 0.94 | |
RJ1 | N-[2-chloro-5-(trifluoromethyl)phenyl]imidodicarbonimidic diamide | A,B,C,D | 3DGA | 0.75 | |
GP6 | 1-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREA | A | 1BJU | 0.74 | |
264 | (phenylamino)acetonitrile | A | 2RBN | 0.79 | |
APB | M-AMINOPHENYLBORONIC ACID | A,B | 3BLS | 0.73 | |
PTU | 2-ETHYL-1-PHENYL-ISOTHIOUREA | A,B | 1K2T | 0.71 | |
PTU | 2-ETHYL-1-PHENYL-ISOTHIOUREA | A,B | 1D1V | 0.71 | |
TPM | 2-(4-AMINOBENZYLAMINO)-3,4,5,6- TETRAHYDROPYRIDINIUM | J,K,L | 1F3D | 0.72 | |
IAP | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A | 1S6R | 0.73 | |
IAP | 4-IODO-ACETAMIDO PHENYLBORONIC ACID | A,B | 1K6S | 0.73 | |
URS | N-PHENYLTHIOUREA | A,B | 1BUG | 0.85 | |
427 | (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2- DIOXABOROLAN-2-YL)PHENYL)GUANIDINE | A | 1ZMN | 0.8 | |
NR2 | N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)- 4-METHYLBENZENESULFONAMIDE | A | 1ZFK | 0.7 | |
PHZ | 1-PHENYLHYDRAZINE | A | 2E2T | 0.71 | |
PHZ | 1-PHENYLHYDRAZINE | D,H | 2AGL | 0.71 | |
IET | 1-(4-CYANO-PHENYL)-3-[2-(2,6-DICHLORO- PHENYL)-1-IMINO-ETHYL]-THIOUREA | A | 1S6P | 0.7 | |
1AN | 2-FLUOROANILINE | A | 1LGW | 0.71 | |
ASR | 4-AMINOPHENYLARSONIC ACID | A | 1N4F | 0.73 | |
PH3 | N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINE | A,B | 1DM6 | 0.81 | |
1MR | N-METHYLANILINE | X | 2OTZ | 0.79 | |
4ND | N4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINE | H,I | 1NO9 | 0.8 | |
CIU | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A,B | 1EK1 | 0.8 | |
CIU | N-CYCLOHEXYL-N'-(4-IODOPHENYL)UREA | A | 1VJ5 | 0.8 | |
4PG | 1-[4-(2-oxo-2-phenylethyl)phenyl]guanidine | U | 2R2W | 0.76 | |
1JZ | 1-[4-(hydroxymethyl)phenyl]guanidine | B | 3FVF | 0.71 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.71 |