Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02285652
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 |
XYD | 2,5-DIMETHYLANILINE | A,B,C,D | 1KYA | 0.73 | |
XYD | 2,5-DIMETHYLANILINE | A | 1L4L | 0.73 | |
12B | BENZO[CD]INDOL-2(1H)-ONE | A,B | 2F67 | 0.7 | |
A8B | A | 1ODC | 0.73 | ||
1MR | N-METHYLANILINE | X | 2OTZ | 0.75 | |
RM1 | N-METHYL-1(R)-AMINOINDAN | A,B | 2C67 | 0.78 | |
34A | 3,4-DIMETHYLANILINE | A | 1L4K | 0.73 | |
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 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A | 1QWC | 0.7 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1FOI | 0.7 | |
14W | N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE | A,B | 1QW5 | 0.7 | |
PRY | 2-PROPYL-ANILINE | A | 1OWY | 0.75 | |
RAS | N-PROPARGYL-1(R)-AMINONDAN | A,B | 2BK4 | 0.76 | |
RAS | N-PROPARGYL-1(R)-AMINONDAN | A,B | 1S2Q | 0.76 | |
FLM | 3-FLUORO-2-METHYL-ANILINE | A | 1OVJ | 0.71 | |
DBP | 1,3-DIAMINOBENZYL PHENYLALANINE | A | 1A85 | 0.73 | |
PYQ | PYROQUILON | A | 1JA9 | 0.74 | |
PYQ | PYROQUILON | A,B,C,D | 1G0O | 0.74 | |
SU2 | 3-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]- 2-INDOLINONE | A,B | 1AGW | 0.72 | |
264 | (phenylamino)acetonitrile | A | 2RBN | 0.75 | |
IS2 | [(4-ETHYLPHENYL)AMINO]CARBONYLPHOSPHONIC ACID | A | 1O4J | 0.71 | |
DR1 | 5-METHYL-5H-INDOLO[3,2-B]QUINOLINE | A | 1K9G | 0.77 | |
AFF | 2-ACETYLAMINOFLUORENE-3-YL | A | 2GE2 | 0.75 | |
IDM | INDOLINE | A,B | 3CEP | 0.92 | |
IDM | INDOLINE | A | 1AEK | 0.92 | |
IXX | 3-(5H-DIBENZO[B,F]AZEPIN-5-YL)- N,N-DIMETHYLPROPAN-1-AMINE | A | 2Q72 | 0.74 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C73 | 0.76 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 1S2Y | 0.76 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C75 | 0.76 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C76 | 0.76 | |
RSA | N-PROPARGYL-1(S)-AMINOINDAN | A,B | 2C72 | 0.76 | |
271 | N-methyl-1-phenylmethanamine | X | 2RBT | 0.73 | |
RMA | N-[(1S)-2,3-DIHYDRO-1H-INDEN-1- YL]-N-METHYL-N-PROP-2-YNYLAMINE | A,B | 1S3B | 0.71 | |
34T | (3R)-8-(dioxidosulfanyl)-3-methyl- 1,2,3,4-tetrahydroquinoline | H | 1ETR | 0.75 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QJU | 0.79 | |
DSM | 3-(10,11-DIHYDRO-5H-DIBENZO[B,F]AZEPIN- 5-YL)-N-METHYLPROPAN-1-AMINE | A | 2QB4 | 0.79 | |
BEP | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | C | 1LXF | 0.7 | |
BEP | 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE | A | 1DTL | 0.7 | |
AU4 | 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE) | A | 2PYZ | 0.79 | |
ISO | PARA-ISOPROPYLANILINE | A | 1BMA | 0.76 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELC | 0.76 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELB | 0.76 | |
ISO | PARA-ISOPROPYLANILINE | A,B | 1ELA | 0.76 | |
NYL | N-ALLYL-ANILINE | A | 1OVK | 0.77 | |
NP1 | N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE | A | 1WUG | 0.71 | |
UFO | 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin- 6-yl)methanamine | A,B,D | 3GQT | 0.72 | |
TPA | TRANS-2-PHENYLCYCLOPROPYLAMINE | A | 1TNL | 0.7 |