Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02809379
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 |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.74 | |
ZMG | (5R)-2-[(2-fluorophenyl)amino]- 5-(1-methylethyl)-1,3-thiazol-4(5H)- one | A,B,C,D | 2RBE | 0.71 | |
150 | 4,5-DIMETHYL-1,2-PHENYLENEDIAMINE | A | 1L4F | 0.73 | |
G1L | 3-CHLORO-2,2-DIMETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE | A,B | 2I80 | 0.72 | |
URS | N-PHENYLTHIOUREA | A,B | 1BUG | 0.77 | |
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 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELE | 0.74 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 7EST | 0.74 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 2EST | 0.74 | |
ANI | 4-TRIFLUOROMETHYLANILINE | E,I | 1ELD | 0.74 | |
PRY | 2-PROPYL-ANILINE | A | 1OWY | 0.77 | |
UFO | 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine | A,B,D | 3GQT | 0.71 | |
34A | 3,4-DIMETHYLANILINE | A | 1L4K | 0.77 | |
OCH | QUINOLIN-2(1H)-ONE | A,B,C,D,E,F | 1Z03 | 0.71 | |
XYD | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.77 | |
XYD | 2,5-DIMETHYLANILINE | A | 1L4L | 0.77 | |
ISO | PARA-ISOPROPYLANILINE | A | 1BMA | 0.77 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.77 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.77 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.77 | |
DBP | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.73 | |
NP1 | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.7 | |
IDM | INDOLINE | A,B | 3CEP | 0.75 | |
IDM | INDOLINE | A | 1AEK | 0.75 | |
IS2 | [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID | A | 1O4J | 0.76 | |
NYL | N-ALLYL-ANILINE | A | 1OVK | 0.74 | |
4NM | 4-NITROPHENYL METHANETHIOL | A,B | 2VO4 | 0.71 | |
FLM | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.75 | |
TFM | S-ETHYL-N-[4-(TRIFLUOROMETHYL)PHENYL]ISOTHIOUREA | A,B | 1K2U | 0.79 | |
NR2 | N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)- 4-METHYLBENZENESULFONAMIDE | A | 1ZFK | 0.72 | |
CBE | 2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4- OXATHIINE-3-CARBOXAMIDE | A,B,C,D,N,O, P,Q | 2FBW | 0.7 | |
PTU | 2-ETHYL-1-PHENYL-ISOTHIOUREA | A,B | 1K2T | 0.75 | |
PTU | 2-ETHYL-1-PHENYL-ISOTHIOUREA | A,B | 1D1V | 0.75 | |
UA5 | (4-ETHYLPHENYL)SULFAMIC ACID | A,B | 2I5X | 0.75 | |
AFF | 2-ACETYLAMINOFLUORENE-3-YL | A | 2GE2 | 0.72 | |
171 | 2-PHENYLAMINO-ETHANESULFONIC ACID | A,B | 1SXG | 0.72 | |
264 | (phenylamino)acetonitrile | A | 2RBN | 0.72 | |
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 | |
1MR | N-METHYLANILINE | X | 2OTZ | 0.76 |